5-[1-[(1S)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H23F2N7O2 — CID 167593714

IUPAC5-[1-[(1S)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn([C@H]3CC3(F)F)c3ncccc23)nc2c(C(=O)N[C@H]3CCC[C@H]3O)cnn12
InChIInChI=1S/C23H23F2N7O2/c1-26-19-8-16(14-11-31(18-9-23(18,24)25)20-12(14)4-3-7-27-20)29-21-13(10-28-32(19)21)22(34)30-15-5-2-6-17(15)33/h3-4,7-8,10-11,15,17-18,26,33H,2,5-6,9H2,1H3,(H,30,34)/t15-,17+,18-/m0/s1
InChIKeyLRCLGYMALPTQQA-JQHSSLGASA-N
MW467.48 g/mol
LogP3.01
Rot. Bonds5

About 5-[1-[(1S)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[1-[(1S)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167593714) has the molecular formula C23H23F2N7O2 and a molecular weight of 467.48 g/mol. Its IUPAC name is 5-[1-[(1S)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[1-[(1S)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID167593714
Molecular FormulaC23H23F2N7O2
Molecular Weight467.48 g/mol
Exact Mass467.19
IUPAC Name5-[1-[(1S)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn([C@H]3CC3(F)F)c3ncccc23)nc2c(C(=O)N[C@H]3CCC[C@H]3O)cnn12
InChIInChI=1S/C23H23F2N7O2/c1-26-19-8-16(14-11-31(18-9-23(18,24)25)20-12(14)4-3-7-27-20)29-21-13(10-28-32(19)21)22(34)30-15-5-2-6-17(15)33/h3-4,7-8,10-11,15,17-18,26,33H,2,5-6,9H2,1H3,(H,30,34)/t15-,17+,18-/m0/s1
InChIKeyLRCLGYMALPTQQA-JQHSSLGASA-N
XLogP3.01
TPSA109.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[1-[(1S)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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CID 146560487
N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-(7-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
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5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S,3S)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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US10829492, Example 11
CID 134480285
US10829492, Example 52
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US10829492, Example 49
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US10829492, Example 13
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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1S)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[1-[(1S)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167593714) is 5-[1-[(1S)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[1-[(1S)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[1-[(1S)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn([C@H]3CC3(F)F)c3ncccc23)nc2c(C(=O)N[C@H]3CCC[C@H]3O)cnn12.
What is the InChIKey of 5-[1-[(1S)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LRCLGYMALPTQQA-JQHSSLGASA-N. The full InChI is InChI=1S/C23H23F2N7O2/c1-26-19-8-16(14-11-31(18-9-23(18,24)25)20-12(14)4-3-7-27-20)29-21-13(10-28-32(19)21)22(34)30-15-5-2-6-17(15)33/h3-4,7-8,10-11,15,17-18,26,33H,2,5-6,9H2,1H3,(H,30,34)/t15-,17+,18-/m0/s1.
What are the key properties of 5-[1-[(1S)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[1-[(1S)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 467.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1S)-2,2-difluorocyclopropyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2R)-2-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167593714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).