cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

C17H10ClF2N5OS — CID 163221426

IUPACcis-(1S,2S)-N-[5-(5-chloro-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1nc2ccc(-c3c(Cl)c(F)cc4[nH]ncc34)nc2s1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C17H10ClF2N5OS/c18-14-9(20)4-12-7(5-21-25-12)13(14)10-1-2-11-16(22-10)27-17(23-11)24-15(26)6-3-8(6)19/h1-2,4-6,8H,3H2,(H,21,25)(H,23,24,26)/t6-,8+/m1/s1
InChIKeyYUBLNXRMMNEOAC-SVRRBLITSA-N
MW405.82 g/mol
LogP4.32
Rot. Bonds3

About cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 163221426) has the molecular formula C17H10ClF2N5OS and a molecular weight of 405.82 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[5-(5-chloro-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID163221426
Molecular FormulaC17H10ClF2N5OS
Molecular Weight405.82 g/mol
Exact Mass405.03
IUPAC Namecis-(1S,2S)-N-[5-(5-chloro-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1nc2ccc(-c3c(Cl)c(F)cc4[nH]ncc34)nc2s1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C17H10ClF2N5OS/c18-14-9(20)4-12-7(5-21-25-12)13(14)10-1-2-11-16(22-10)27-17(23-11)24-15(26)6-3-8(6)19/h1-2,4-6,8H,3H2,(H,21,25)(H,23,24,26)/t6-,8+/m1/s1
InChIKeyYUBLNXRMMNEOAC-SVRRBLITSA-N
XLogP4.32
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.82
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N,N-dimethyl-1H-indazole-7-carboxamide
CID 163221513
cis-(1S,2S)-N-[5-(7-acetamido-6-fluoro-5-methyl-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718250
2-[[5-ethyl-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-1H-indazol-7-yl]sulfanyl]acetic acid
CID 164718046
N-[5-[5-ethyl-6-fluoro-7-[2-(methylamino)-2-oxoethyl]sulfanyl-1H-indazol-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 175707259
(2S)-N-[6-(5-ethynyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718266
cis-(1S,2S)-N-[6-(5-chloro-7-cyano-6-fluoro-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718418
N-[6-(5-chloro-6-fluoro-7-methylsulfanyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718079
cis-(1S,2S)-N-[6-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 163220898
cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(prop-2-enoylamino)-1H-indazol-4-yl]-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718364
cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-(1-fluoroethyl)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 167002415
2-fluoro-N-[6-(7-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 138504742
cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(2-methoxyethylsulfanyl)-1H-indazol-4-yl]-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718042

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 163221426) is cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is O=C(Nc1nc2ccc(-c3c(Cl)c(F)cc4[nH]ncc34)nc2s1)[C@@H]1C[C@@H]1F.
What is the InChIKey of cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is YUBLNXRMMNEOAC-SVRRBLITSA-N. The full InChI is InChI=1S/C17H10ClF2N5OS/c18-14-9(20)4-12-7(5-21-25-12)13(14)10-1-2-11-16(22-10)27-17(23-11)24-15(26)6-3-8(6)19/h1-2,4-6,8H,3H2,(H,21,25)(H,23,24,26)/t6-,8+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 405.82 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-1H-indazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 163221426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).