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

C19H14ClF2N5O2 — CID 164520354

IUPACcis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-methoxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCOc1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12
InChIInChI=1S/C19H14ClF2N5O2/c1-29-18-16(22)15(20)14(10-5-23-26-17(10)18)8-2-3-13-24-12(7-27(13)6-8)25-19(28)9-4-11(9)21/h2-3,5-7,9,11H,4H2,1H3,(H,23,26)(H,25,28)/t9-,11+/m1/s1
InChIKeyBLHWGMZRTQQURA-KOLCDFICSA-N
MW417.80 g/mol
LogP3.98
Rot. Bonds4

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

cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-methoxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520354) has the molecular formula C19H14ClF2N5O2 and a molecular weight of 417.80 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-methoxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-methoxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164520354
Molecular FormulaC19H14ClF2N5O2
Molecular Weight417.80 g/mol
Exact Mass417.08
IUPAC Namecis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-methoxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCOc1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12
InChIInChI=1S/C19H14ClF2N5O2/c1-29-18-16(22)15(20)14(10-5-23-26-17(10)18)8-2-3-13-24-12(7-27(13)6-8)25-19(28)9-4-11(9)21/h2-3,5-7,9,11H,4H2,1H3,(H,23,26)(H,25,28)/t9-,11+/m1/s1
InChIKeyBLHWGMZRTQQURA-KOLCDFICSA-N
XLogP3.98
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.80
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-methoxy-1H-indazol-4-yl)imidazo[1,2-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-[6-(5-chloro-6-fluoro-7-methoxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-methoxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164520354) is cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-methoxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-methoxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-methoxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is COc1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12.
What is the InChIKey of cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-methoxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is BLHWGMZRTQQURA-KOLCDFICSA-N. The full InChI is InChI=1S/C19H14ClF2N5O2/c1-29-18-16(22)15(20)14(10-5-23-26-17(10)18)8-2-3-13-24-12(7-27(13)6-8)25-19(28)9-4-11(9)21/h2-3,5-7,9,11H,4H2,1H3,(H,23,26)(H,25,28)/t9-,11+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-methoxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-methoxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 417.80 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[6-(5-chloro-6-fluoro-7-methoxy-1H-indazol-4-yl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).