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

C20H18ClF2N7O — CID 163220732

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

cis-(1R,2R)-N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 163220732) has the molecular formula C20H18ClF2N7O and a molecular weight of 445.86 g/mol. Its IUPAC name is cis-(1R,2R)-N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1R,2R)-N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 163220732
• Molecular Formula: C20H18ClF2N7O
• Molecular Weight: 445.86 g/mol
• Exact Mass: 445.12
• IUPAC Name: cis-(1R,2R)-N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: CC(C)Nc1c(F)c(Cl)c(-c2cn3cc(NC(=O)[C@H]4C[C@H]4F)nc3cn2)c2cn[nH]c12
• InChI: InChI=1S/C20H18ClF2N7O/c1-8(2)26-19-17(23)16(21)15(10-4-25-29-18(10)19)12-6-30-7-13(27-14(30)5-24-12)28-20(31)9-3-11(9)22/h4-9,11,26H,3H2,1-2H3,(H,25,29)(H,28,31)/t9-,11+/m0/s1
• InChIKey: LOCQDPAQBWMVMF-GXSJLCMTSA-N
• XLogP: 4.18
• TPSA: 100.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.86
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of cis-(1R,2R)-N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 163220732) is cis-(1R,2R)-N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1R,2R)-N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for cis-(1R,2R)-N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is CC(C)Nc1c(F)c(Cl)c(-c2cn3cc(NC(=O)[C@H]4C[C@H]4F)nc3cn2)c2cn[nH]c12.

What is the InChIKey of cis-(1R,2R)-N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is LOCQDPAQBWMVMF-GXSJLCMTSA-N. The full InChI is InChI=1S/C20H18ClF2N7O/c1-8(2)26-19-17(23)16(21)15(10-4-25-29-18(10)19)12-6-30-7-13(27-14(30)5-24-12)28-20(31)9-3-11(9)22/h4-9,11,26H,3H2,1-2H3,(H,25,29)(H,28,31)/t9-,11+/m0/s1.

What are the key properties of cis-(1R,2R)-N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide?

cis-(1R,2R)-N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 445.86 g/mol, XLogP of 4.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2R)-N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 163220732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).