(2S)-1-(cyclopentene-1-carbonyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide

C26H27N7O2 — CID 138491028

IUPAC(2S)-1-(cyclopentene-1-carbonyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1)[C@@H]1CCCN1C(=O)C1=CCCC1
InChIInChI=1S/C26H27N7O2/c34-25(23-8-4-14-32(23)26(35)17-5-1-2-6-17)28-12-9-18-15-20-19(10-13-27-24(20)31-18)21-16-30-33-22(21)7-3-11-29-33/h3,5,7,10-11,13,15-16,23H,1-2,4,6,8-9,12,14H2,(H,27,31)(H,28,34)/t23-/m0/s1
InChIKeyMZLQTHFOMLFMOR-QHCPKHFHSA-N
MW469.55 g/mol
LogP3.03
Rot. Bonds6

About (2S)-1-(cyclopentene-1-carbonyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide

(2S)-1-(cyclopentene-1-carbonyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 138491028) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is (2S)-1-(cyclopentene-1-carbonyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(cyclopentene-1-carbonyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID138491028
Molecular FormulaC26H27N7O2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC Name(2S)-1-(cyclopentene-1-carbonyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1)[C@@H]1CCCN1C(=O)C1=CCCC1
InChIInChI=1S/C26H27N7O2/c34-25(23-8-4-14-32(23)26(35)17-5-1-2-6-17)28-12-9-18-15-20-19(10-13-27-24(20)31-18)21-16-30-33-22(21)7-3-11-29-33/h3,5,7,10-11,13,15-16,23H,1-2,4,6,8-9,12,14H2,(H,27,31)(H,28,34)/t23-/m0/s1
InChIKeyMZLQTHFOMLFMOR-QHCPKHFHSA-N
XLogP3.03
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-1-(cyclopentene-1-carbonyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclopentene-1-carbonyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(cyclopentene-1-carbonyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide (CID 138491028) is (2S)-1-(cyclopentene-1-carbonyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(cyclopentene-1-carbonyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(cyclopentene-1-carbonyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide is O=C(NCCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1)[C@@H]1CCCN1C(=O)C1=CCCC1.
What is the InChIKey of (2S)-1-(cyclopentene-1-carbonyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is MZLQTHFOMLFMOR-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H27N7O2/c34-25(23-8-4-14-32(23)26(35)17-5-1-2-6-17)28-12-9-18-15-20-19(10-13-27-24(20)31-18)21-16-30-33-22(21)7-3-11-29-33/h3,5,7,10-11,13,15-16,23H,1-2,4,6,8-9,12,14H2,(H,27,31)(H,28,34)/t23-/m0/s1.
What are the key properties of (2S)-1-(cyclopentene-1-carbonyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide?
(2S)-1-(cyclopentene-1-carbonyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclopentene-1-carbonyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 138491028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).