3-(5-chloro-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;N-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine;(2R)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2R)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide

C122H126ClN39O6 — CID 158965118

About 3-(5-chloro-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;N-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine;(2R)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2R)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide

3-(5-chloro-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;N-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine;(2R)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2R)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide (PubChem CID 158965118) has the molecular formula C122H126ClN39O6 and a molecular weight of 2270.07 g/mol. Its IUPAC name is 3-(5-chloro-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;N-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine;(2R)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2R)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

• Compound Name: 3-(5-chloro-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;N-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine;(2R)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2R)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide
• PubChem CID: 158965118
• Molecular Formula: C122H126ClN39O6
• Molecular Weight: 2270.07 g/mol
• Exact Mass: 2268.04
• IUPAC Name: 3-(5-chloro-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;N-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine;(2R)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2R)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide
• SMILES: C=CC(=O)N1CCCC[C@@H]1C(=O)NCCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1.C=CC(=O)N1CCCC[C@H]1C(=O)NCCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1.CCCc1cc2c(-c3cnn4ncccc34)c(Cl)cnc2[nH]1.CNCCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1.O=C(NCCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1)[C@@H]1CCCCN1.O=C(NCCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1)[C@H]1CCCCN1
• InChI: InChI=1S/2C24H25N7O2.2C21H23N7O.C16H14ClN5.C16H16N6/c2*1-2-22(32)30-13-4-3-6-21(30)24(33)26-11-8-16-14-18-17(9-12-25-23(18)29-16)19-15-28-31-20(19)7-5-10-27-31;2*29-21(18-4-1-2-8-22-18)24-10-6-14-12-16-15(7-11-23-20(16)27-14)17-13-26-28-19(17)5-3-9-25-28;1-2-4-10-7-11-15(13(17)9-18-16(11)21-10)12-8-20-22-14(12)5-3-6-19-22;1-17-7-4-11-9-13-12(5-8-18-16(13)21-11)14-10-20-22-15(14)3-2-6-19-22/h2*2,5,7,9-10,12,14-15,21H,1,3-4,6,8,11,13H2,(H,25,29)(H,26,33);2*3,5,7,9,11-13,18,22H,1-2,4,6,8,10H2,(H,23,27)(H,24,29);3,5-9H,2,4H2,1H3,(H,18,21);2-3,5-6,8-10,17H,4,7H2,1H3,(H,18,21)/t2*21-;2*18-;;/m1010../s1
• InChIKey: JNCKJXSMFJXQLU-ACZVWRQBSA-N
• XLogP: 15.06
• TPSA: 546.33 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 33
• Rotatable Bonds: 29
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2270.07
LogP ≤ 5	15.06
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;N-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine;(2R)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2R)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide?

The IUPAC name of 3-(5-chloro-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;N-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine;(2R)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2R)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide (CID 158965118) is 3-(5-chloro-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;N-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine;(2R)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2R)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide.

What is the SMILES notation for 3-(5-chloro-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;N-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine;(2R)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2R)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide?

The canonical SMILES for 3-(5-chloro-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;N-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine;(2R)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2R)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide is C=CC(=O)N1CCCC[C@@H]1C(=O)NCCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1.C=CC(=O)N1CCCC[C@H]1C(=O)NCCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1.CCCc1cc2c(-c3cnn4ncccc34)c(Cl)cnc2[nH]1.CNCCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1.O=C(NCCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1)[C@@H]1CCCCN1.O=C(NCCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1)[C@H]1CCCCN1.

What is the InChIKey of 3-(5-chloro-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;N-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine;(2R)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2R)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide?

The InChIKey is JNCKJXSMFJXQLU-ACZVWRQBSA-N. The full InChI is InChI=1S/2C24H25N7O2.2C21H23N7O.C16H14ClN5.C16H16N6/c2*1-2-22(32)30-13-4-3-6-21(30)24(33)26-11-8-16-14-18-17(9-12-25-23(18)29-16)19-15-28-31-20(19)7-5-10-27-31;2*29-21(18-4-1-2-8-22-18)24-10-6-14-12-16-15(7-11-23-20(16)27-14)17-13-26-28-19(17)5-3-9-25-28;1-2-4-10-7-11-15(13(17)9-18-16(11)21-10)12-8-20-22-14(12)5-3-6-19-22;1-17-7-4-11-9-13-12(5-8-18-16(13)21-11)14-10-20-22-15(14)3-2-6-19-22/h2*2,5,7,9-10,12,14-15,21H,1,3-4,6,8,11,13H2,(H,25,29)(H,26,33);2*3,5,7,9,11-13,18,22H,1-2,4,6,8,10H2,(H,23,27)(H,24,29);3,5-9H,2,4H2,1H3,(H,18,21);2-3,5-6,8-10,17H,4,7H2,1H3,(H,18,21)/t2*21-;2*18-;;/m1010../s1.

What are the key properties of 3-(5-chloro-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;N-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine;(2R)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2R)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide?

3-(5-chloro-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;N-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine;(2R)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2R)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 2270.07 g/mol, XLogP of 15.06, 29 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-chloro-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-b]pyridazine;N-methyl-2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine;(2R)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-1-prop-2-enoyl-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2S)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide;(2R)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 158965118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).