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

C22H17ClF2N8O — CID 163220613

IUPACcis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(2-methylimidazol-1-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1nccn1Cc1c(F)c(Cl)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C22H17ClF2N8O/c1-10-26-2-3-32(10)7-13-20(25)19(23)18(12-5-28-31-21(12)13)15-8-33-9-16(29-17(33)6-27-15)30-22(34)11-4-14(11)24/h2-3,5-6,8-9,11,14H,4,7H2,1H3,(H,28,31)(H,30,34)/t11-,14+/m1/s1
InChIKeyPNVSCNJBXQKLNW-RISCZKNCSA-N
MW482.88 g/mol
LogP3.91
Rot. Bonds5

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

cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(2-methylimidazol-1-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 163220613) has the molecular formula C22H17ClF2N8O and a molecular weight of 482.88 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(2-methylimidazol-1-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(2-methylimidazol-1-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID163220613
Molecular FormulaC22H17ClF2N8O
Molecular Weight482.88 g/mol
Exact Mass482.12
IUPAC Namecis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(2-methylimidazol-1-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1nccn1Cc1c(F)c(Cl)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C22H17ClF2N8O/c1-10-26-2-3-32(10)7-13-20(25)19(23)18(12-5-28-31-21(12)13)15-8-33-9-16(29-17(33)6-27-15)30-22(34)11-4-14(11)24/h2-3,5-6,8-9,11,14H,4,7H2,1H3,(H,28,31)(H,30,34)/t11-,14+/m1/s1
InChIKeyPNVSCNJBXQKLNW-RISCZKNCSA-N
XLogP3.91
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.88
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(2-methylimidazol-1-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(2-methylimidazol-1-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 163220613) is cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(2-methylimidazol-1-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(2-methylimidazol-1-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(2-methylimidazol-1-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is Cc1nccn1Cc1c(F)c(Cl)c(-c2cn3cc(NC(=O)[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12.
What is the InChIKey of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(2-methylimidazol-1-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is PNVSCNJBXQKLNW-RISCZKNCSA-N. The full InChI is InChI=1S/C22H17ClF2N8O/c1-10-26-2-3-32(10)7-13-20(25)19(23)18(12-5-28-31-21(12)13)15-8-33-9-16(29-17(33)6-27-15)30-22(34)11-4-14(11)24/h2-3,5-6,8-9,11,14H,4,7H2,1H3,(H,28,31)(H,30,34)/t11-,14+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(2-methylimidazol-1-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(2-methylimidazol-1-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 482.88 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-[(2-methylimidazol-1-yl)methyl]-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 163220613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).