cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

C19H14ClF2N5O — CID 163221386

IUPACcis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C19H14ClF2N5O/c1-8-17(22)16(20)15(12-7-23-25-18(8)12)9-2-3-27-10(4-9)5-14(26-27)24-19(28)11-6-13(11)21/h2-5,7,11,13H,6H2,1H3,(H,23,25)(H,24,26,28)/t11-,13+/m1/s1
InChIKeyLZJANJGNTDJMLR-YPMHNXCESA-N
MW401.80 g/mol
LogP4.28
Rot. Bonds3

About cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 163221386) has the molecular formula C19H14ClF2N5O and a molecular weight of 401.80 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID163221386
Molecular FormulaC19H14ClF2N5O
Molecular Weight401.80 g/mol
Exact Mass401.09
IUPAC Namecis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C19H14ClF2N5O/c1-8-17(22)16(20)15(12-7-23-25-18(8)12)9-2-3-27-10(4-9)5-14(26-27)24-19(28)11-6-13(11)21/h2-5,7,11,13H,6H2,1H3,(H,23,25)(H,24,26,28)/t11-,13+/m1/s1
InChIKeyLZJANJGNTDJMLR-YPMHNXCESA-N
XLogP4.28
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.80
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 163221386) is cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is Cc1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12.
What is the InChIKey of cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is LZJANJGNTDJMLR-YPMHNXCESA-N. The full InChI is InChI=1S/C19H14ClF2N5O/c1-8-17(22)16(20)15(12-7-23-25-18(8)12)9-2-3-27-10(4-9)5-14(26-27)24-19(28)11-6-13(11)21/h2-5,7,11,13H,6H2,1H3,(H,23,25)(H,24,26,28)/t11-,13+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 401.80 g/mol, XLogP of 4.28, 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-(5-chloro-6-fluoro-7-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 163221386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).