fluoro N-[5-(7-acetamido-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]carbamate

C17H11ClF2N6O3 — CID 163220905

IUPACfluoro N-[5-(7-acetamido-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]carbamate
SMILESCC(=O)Nc1c(F)c(Cl)c(-c2ccn3nc(NC(=O)OF)cc3c2)c2cn[nH]c12
InChIInChI=1S/C17H11ClF2N6O3/c1-7(27)22-16-14(19)13(18)12(10-6-21-24-15(10)16)8-2-3-26-9(4-8)5-11(25-26)23-17(28)29-20/h2-6H,1H3,(H,21,24)(H,22,27)(H,23,25,28)
InChIKeyAMYHBFCSOQJXPH-UHFFFAOYSA-N
MW420.76 g/mol
LogP4.06
Rot. Bonds3

About fluoro N-[5-(7-acetamido-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]carbamate

fluoro N-[5-(7-acetamido-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]carbamate (PubChem CID 163220905) has the molecular formula C17H11ClF2N6O3 and a molecular weight of 420.76 g/mol. Its IUPAC name is fluoro N-[5-(7-acetamido-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]carbamate.

Molecular Properties

Compound Namefluoro N-[5-(7-acetamido-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]carbamate
PubChem CID163220905
Molecular FormulaC17H11ClF2N6O3
Molecular Weight420.76 g/mol
Exact Mass420.05
IUPAC Namefluoro N-[5-(7-acetamido-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]carbamate
SMILESCC(=O)Nc1c(F)c(Cl)c(-c2ccn3nc(NC(=O)OF)cc3c2)c2cn[nH]c12
InChIInChI=1S/C17H11ClF2N6O3/c1-7(27)22-16-14(19)13(18)12(10-6-21-24-15(10)16)8-2-3-26-9(4-8)5-11(25-26)23-17(28)29-20/h2-6H,1H3,(H,21,24)(H,22,27)(H,23,25,28)
InChIKeyAMYHBFCSOQJXPH-UHFFFAOYSA-N
XLogP4.06
TPSA113.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.76
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

fluoro N-[5-[7-(2-carbamoyloxyethoxy)-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]carbamate
CID 163220984
N-[5-(5-chloro-6,7-difluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]formamide;ethane
CID 163220978
cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(4-oxopentan-2-yl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 165070262
tert-butyl N-[[5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazol-7-yl]amino]-N-methylcarbamate
CID 164718050
cis-(1S,2S)-N-[5-[5-chloro-7-[[4-(dimethylamino)cyclohexyl]amino]-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718261
N-[5-[5-chloro-6-fluoro-7-(fluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 175707330
cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-pyrrol-1-yl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520334
cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(3-fluoro-3-methylazetidin-1-yl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718290
cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-[methyl(pyridin-4-yl)amino]-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718045
cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-pyrrolidin-1-yl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718281
N-[5-[7-[[4-(dimethylamino)cyclohexyl]amino]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]acetamide
CID 167002564
N-[1-[5-chloro-6-fluoro-4-(2-formamidopyrazolo[1,5-a]pyridin-5-yl)-1H-indazol-7-yl]ethyl]propanamide;cyclopropane
CID 163221498

Frequently Asked Questions

What is the IUPAC name of fluoro N-[5-(7-acetamido-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]carbamate?
The IUPAC name of fluoro N-[5-(7-acetamido-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]carbamate (CID 163220905) is fluoro N-[5-(7-acetamido-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]carbamate.
What is the SMILES notation for fluoro N-[5-(7-acetamido-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]carbamate?
The canonical SMILES for fluoro N-[5-(7-acetamido-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]carbamate is CC(=O)Nc1c(F)c(Cl)c(-c2ccn3nc(NC(=O)OF)cc3c2)c2cn[nH]c12.
What is the InChIKey of fluoro N-[5-(7-acetamido-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]carbamate?
The InChIKey is AMYHBFCSOQJXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N6O3/c1-7(27)22-16-14(19)13(18)12(10-6-21-24-15(10)16)8-2-3-26-9(4-8)5-11(25-26)23-17(28)29-20/h2-6H,1H3,(H,21,24)(H,22,27)(H,23,25,28).
What are the key properties of fluoro N-[5-(7-acetamido-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]carbamate?
fluoro N-[5-(7-acetamido-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]carbamate has a molecular weight of 420.76 g/mol, XLogP of 4.06, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro N-[5-(7-acetamido-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]carbamate is sourced from PubChem (CID 163220905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).