cis-(1S,2S)-2-fluoro-N-[5-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide

C19H16FN5O2 — CID 169305672

IUPACcis-(1S,2S)-2-fluoro-N-[5-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCOc1c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)cnc2[nH]ccc12
InChIInChI=1S/C19H16FN5O2/c1-27-17-12-2-4-21-18(12)22-9-14(17)10-3-5-25-11(6-10)7-16(24-25)23-19(26)13-8-15(13)20/h2-7,9,13,15H,8H2,1H3,(H,21,22)(H,23,24,26)/t13-,15+/m1/s1
InChIKeyRGDCBCQGGRTXNW-HIFRSBDPSA-N
MW365.37 g/mol
LogP3.18
Rot. Bonds4

About cis-(1S,2S)-2-fluoro-N-[5-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide

cis-(1S,2S)-2-fluoro-N-[5-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide (PubChem CID 169305672) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[5-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-[5-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
PubChem CID169305672
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Namecis-(1S,2S)-2-fluoro-N-[5-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCOc1c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)cnc2[nH]ccc12
InChIInChI=1S/C19H16FN5O2/c1-27-17-12-2-4-21-18(12)22-9-14(17)10-3-5-25-11(6-10)7-16(24-25)23-19(26)13-8-15(13)20/h2-7,9,13,15H,8H2,1H3,(H,21,22)(H,23,24,26)/t13-,15+/m1/s1
InChIKeyRGDCBCQGGRTXNW-HIFRSBDPSA-N
XLogP3.18
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1S,2S)-2-fluoro-N-[5-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[5-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-fluoro-N-[5-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide (CID 169305672) is cis-(1S,2S)-2-fluoro-N-[5-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[5-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[5-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide is COc1c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)cnc2[nH]ccc12.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[5-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The InChIKey is RGDCBCQGGRTXNW-HIFRSBDPSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-27-17-12-2-4-21-18(12)22-9-14(17)10-3-5-25-11(6-10)7-16(24-25)23-19(26)13-8-15(13)20/h2-7,9,13,15H,8H2,1H3,(H,21,22)(H,23,24,26)/t13-,15+/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-N-[5-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-[5-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluoro-N-[5-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 169305672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).