cis-(1S,2S)-N-[5-(3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

C19H15ClFN5O — CID 169305671

IUPACcis-(1S,2S)-N-[5-(3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)cnc2[nH]cc(Cl)c12
InChIInChI=1S/C19H15ClFN5O/c1-9-13(7-22-18-17(9)14(20)8-23-18)10-2-3-26-11(4-10)5-16(25-26)24-19(27)12-6-15(12)21/h2-5,7-8,12,15H,6H2,1H3,(H,22,23)(H,24,25,27)/t12-,15+/m1/s1
InChIKeyBCGSHQSXJFPEKN-DOMZBBRYSA-N
MW383.81 g/mol
LogP4.14
Rot. Bonds3

About cis-(1S,2S)-N-[5-(3-chloro-4-methyl-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-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 169305671) has the molecular formula C19H15ClFN5O and a molecular weight of 383.81 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-(3-chloro-4-methyl-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-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID169305671
Molecular FormulaC19H15ClFN5O
Molecular Weight383.81 g/mol
Exact Mass383.09
IUPAC Namecis-(1S,2S)-N-[5-(3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)cnc2[nH]cc(Cl)c12
InChIInChI=1S/C19H15ClFN5O/c1-9-13(7-22-18-17(9)14(20)8-23-18)10-2-3-26-11(4-10)5-16(25-26)24-19(27)12-6-15(12)21/h2-5,7-8,12,15H,6H2,1H3,(H,22,23)(H,24,25,27)/t12-,15+/m1/s1
InChIKeyBCGSHQSXJFPEKN-DOMZBBRYSA-N
XLogP4.14
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2S)-N-[5-(3-chloro-4-methyl-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-4-methyl-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-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 169305671) is cis-(1S,2S)-N-[5-(3-chloro-4-methyl-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-4-methyl-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-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is Cc1c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)cnc2[nH]cc(Cl)c12.
What is the InChIKey of cis-(1S,2S)-N-[5-(3-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is BCGSHQSXJFPEKN-DOMZBBRYSA-N. The full InChI is InChI=1S/C19H15ClFN5O/c1-9-13(7-22-18-17(9)14(20)8-23-18)10-2-3-26-11(4-10)5-16(25-26)24-19(27)12-6-15(12)21/h2-5,7-8,12,15H,6H2,1H3,(H,22,23)(H,24,25,27)/t12-,15+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-(3-chloro-4-methyl-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-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 383.81 g/mol, XLogP of 4.14, 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-4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 169305671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).