cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-7-methoxy-5-methyl-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide

C20H17F2N5O2 — CID 164520323

IUPACcis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-7-methoxy-5-methyl-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCOc1c(F)c(C)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12
InChIInChI=1S/C20H17F2N5O2/c1-9-16(12-6-23-26-18(12)19(29-2)17(9)22)10-3-4-15-24-14(8-27(15)7-10)25-20(28)11-5-13(11)21/h3-4,6-8,11,13H,5H2,1-2H3,(H,23,26)(H,25,28)/t11-,13+/m1/s1
InChIKeyAKHBTPPGMIXBCG-YPMHNXCESA-N
MW397.39 g/mol
LogP3.63
Rot. Bonds4

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

cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-7-methoxy-5-methyl-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide (PubChem CID 164520323) has the molecular formula C20H17F2N5O2 and a molecular weight of 397.39 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-7-methoxy-5-methyl-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-7-methoxy-5-methyl-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
PubChem CID164520323
Molecular FormulaC20H17F2N5O2
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC Namecis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-7-methoxy-5-methyl-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCOc1c(F)c(C)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12
InChIInChI=1S/C20H17F2N5O2/c1-9-16(12-6-23-26-18(12)19(29-2)17(9)22)10-3-4-15-24-14(8-27(15)7-10)25-20(28)11-5-13(11)21/h3-4,6-8,11,13H,5H2,1-2H3,(H,23,26)(H,25,28)/t11-,13+/m1/s1
InChIKeyAKHBTPPGMIXBCG-YPMHNXCESA-N
XLogP3.63
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-7-methoxy-5-methyl-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-7-methoxy-5-methyl-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide (CID 164520323) is cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-7-methoxy-5-methyl-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-7-methoxy-5-methyl-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-7-methoxy-5-methyl-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide is COc1c(F)c(C)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-7-methoxy-5-methyl-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The InChIKey is AKHBTPPGMIXBCG-YPMHNXCESA-N. The full InChI is InChI=1S/C20H17F2N5O2/c1-9-16(12-6-23-26-18(12)19(29-2)17(9)22)10-3-4-15-24-14(8-27(15)7-10)25-20(28)11-5-13(11)21/h3-4,6-8,11,13H,5H2,1-2H3,(H,23,26)(H,25,28)/t11-,13+/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-7-methoxy-5-methyl-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-[6-(6-fluoro-7-methoxy-5-methyl-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 397.39 g/mol, XLogP of 3.63, 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-[6-(6-fluoro-7-methoxy-5-methyl-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 164520323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).