6-(cyclopropanecarbonylamino)-N-methyl-4-[[3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-chromeno[4,3-d]pyrazol-6-yl]amino]pyridazine-3-carboxamide

C34H36N10O4 — CID 177347745

About 6-(cyclopropanecarbonylamino)-N-methyl-4-[[3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-chromeno[4,3-d]pyrazol-6-yl]amino]pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-N-methyl-4-[[3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-chromeno[4,3-d]pyrazol-6-yl]amino]pyridazine-3-carboxamide (PubChem CID 177347745) has the molecular formula C34H36N10O4 and a molecular weight of 648.73 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-N-methyl-4-[[3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-chromeno[4,3-d]pyrazol-6-yl]amino]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclopropanecarbonylamino)-N-methyl-4-[[3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-chromeno[4,3-d]pyrazol-6-yl]amino]pyridazine-3-carboxamide
• PubChem CID: 177347745
• Molecular Formula: C34H36N10O4
• Molecular Weight: 648.73 g/mol
• Exact Mass: 648.29
• IUPAC Name: 6-(cyclopropanecarbonylamino)-N-methyl-4-[[3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-chromeno[4,3-d]pyrazol-6-yl]amino]pyridazine-3-carboxamide
• SMILES: CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc2c1OCc1c-2cnn1C1CN(Cc2cccc(C(=O)N3CCCC3)n2)C1
• InChI: InChI=1S/C34H36N10O4/c1-35-33(46)30-27(14-29(40-41-30)39-32(45)20-10-11-20)38-25-8-5-7-23-24-15-36-44(28(24)19-48-31(23)25)22-17-42(18-22)16-21-6-4-9-26(37-21)34(47)43-12-2-3-13-43/h4-9,14-15,20,22H,2-3,10-13,16-19H2,1H3,(H,35,46)(H2,38,39,40,45)
• InChIKey: QMGYECKZWNDUMF-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 159.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.73
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-N-methyl-4-[[3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-chromeno[4,3-d]pyrazol-6-yl]amino]pyridazine-3-carboxamide?

The IUPAC name of 6-(cyclopropanecarbonylamino)-N-methyl-4-[[3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-chromeno[4,3-d]pyrazol-6-yl]amino]pyridazine-3-carboxamide (CID 177347745) is 6-(cyclopropanecarbonylamino)-N-methyl-4-[[3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-chromeno[4,3-d]pyrazol-6-yl]amino]pyridazine-3-carboxamide.

What is the SMILES notation for 6-(cyclopropanecarbonylamino)-N-methyl-4-[[3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-chromeno[4,3-d]pyrazol-6-yl]amino]pyridazine-3-carboxamide?

The canonical SMILES for 6-(cyclopropanecarbonylamino)-N-methyl-4-[[3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-chromeno[4,3-d]pyrazol-6-yl]amino]pyridazine-3-carboxamide is CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc2c1OCc1c-2cnn1C1CN(Cc2cccc(C(=O)N3CCCC3)n2)C1.

What is the InChIKey of 6-(cyclopropanecarbonylamino)-N-methyl-4-[[3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-chromeno[4,3-d]pyrazol-6-yl]amino]pyridazine-3-carboxamide?

The InChIKey is QMGYECKZWNDUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N10O4/c1-35-33(46)30-27(14-29(40-41-30)39-32(45)20-10-11-20)38-25-8-5-7-23-24-15-36-44(28(24)19-48-31(23)25)22-17-42(18-22)16-21-6-4-9-26(37-21)34(47)43-12-2-3-13-43/h4-9,14-15,20,22H,2-3,10-13,16-19H2,1H3,(H,35,46)(H2,38,39,40,45).

What are the key properties of 6-(cyclopropanecarbonylamino)-N-methyl-4-[[3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-chromeno[4,3-d]pyrazol-6-yl]amino]pyridazine-3-carboxamide?

6-(cyclopropanecarbonylamino)-N-methyl-4-[[3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-chromeno[4,3-d]pyrazol-6-yl]amino]pyridazine-3-carboxamide has a molecular weight of 648.73 g/mol, XLogP of 3.37, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropanecarbonylamino)-N-methyl-4-[[3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-chromeno[4,3-d]pyrazol-6-yl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 177347745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).