cis-(1S,2S)-N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

C18H13ClFN5O — CID 162734526

IUPACcis-(1S,2S)-N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cc2cc(-c3cnc4[nH]cc(Cl)c4c3)ccn2n1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C18H13ClFN5O/c19-14-8-22-17-12(14)4-10(7-21-17)9-1-2-25-11(3-9)5-16(24-25)23-18(26)13-6-15(13)20/h1-5,7-8,13,15H,6H2,(H,21,22)(H,23,24,26)/t13-,15+/m1/s1
InChIKeySCVOABYBOHRDLK-HIFRSBDPSA-N
MW369.79 g/mol
LogP3.83
Rot. Bonds3

About cis-(1S,2S)-N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 162734526) has the molecular formula C18H13ClFN5O and a molecular weight of 369.79 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID162734526
Molecular FormulaC18H13ClFN5O
Molecular Weight369.79 g/mol
Exact Mass369.08
IUPAC Namecis-(1S,2S)-N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cc2cc(-c3cnc4[nH]cc(Cl)c4c3)ccn2n1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C18H13ClFN5O/c19-14-8-22-17-12(14)4-10(7-21-17)9-1-2-25-11(3-9)5-16(24-25)23-18(26)13-6-15(13)20/h1-5,7-8,13,15H,6H2,(H,21,22)(H,23,24,26)/t13-,15+/m1/s1
InChIKeySCVOABYBOHRDLK-HIFRSBDPSA-N
XLogP3.83
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.79
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2S)-N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 162734526) is cis-(1S,2S)-N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is O=C(Nc1cc2cc(-c3cnc4[nH]cc(Cl)c4c3)ccn2n1)[C@@H]1C[C@@H]1F.
What is the InChIKey of cis-(1S,2S)-N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is SCVOABYBOHRDLK-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H13ClFN5O/c19-14-8-22-17-12(14)4-10(7-21-17)9-1-2-25-11(3-9)5-16(24-25)23-18(26)13-6-15(13)20/h1-5,7-8,13,15H,6H2,(H,21,22)(H,23,24,26)/t13-,15+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 369.79 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 162734526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).