6-[5-chloro-6-fluoro-7-(1-methoxypropan-2-ylamino)-1H-indazol-4-yl]-N-[[(1S,2S)-2-fluorocyclopropyl]methyl]imidazo[1,2-a]pyrazin-2-amine

C21H22ClF2N7O — CID 166996375

IUPAC6-[5-chloro-6-fluoro-7-(1-methoxypropan-2-ylamino)-1H-indazol-4-yl]-N-[[(1S,2S)-2-fluorocyclopropyl]methyl]imidazo[1,2-a]pyrazin-2-amine
SMILESCOCC(C)Nc1c(F)c(Cl)c(-c2cn3cc(NC[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C21H22ClF2N7O/c1-10(9-32-2)28-21-19(24)18(22)17(12-5-27-30-20(12)21)14-7-31-8-15(29-16(31)6-25-14)26-4-11-3-13(11)23/h5-8,10-11,13,26,28H,3-4,9H2,1-2H3,(H,27,30)/t10?,11-,13-/m0/s1
InChIKeyUGVPCIWUKDVPPW-KUNJKIHDSA-N
MW461.90 g/mol
LogP4.28
Rot. Bonds8

About 6-[5-chloro-6-fluoro-7-(1-methoxypropan-2-ylamino)-1H-indazol-4-yl]-N-[[(1S,2S)-2-fluorocyclopropyl]methyl]imidazo[1,2-a]pyrazin-2-amine

6-[5-chloro-6-fluoro-7-(1-methoxypropan-2-ylamino)-1H-indazol-4-yl]-N-[[(1S,2S)-2-fluorocyclopropyl]methyl]imidazo[1,2-a]pyrazin-2-amine (PubChem CID 166996375) has the molecular formula C21H22ClF2N7O and a molecular weight of 461.90 g/mol. Its IUPAC name is 6-[5-chloro-6-fluoro-7-(1-methoxypropan-2-ylamino)-1H-indazol-4-yl]-N-[[(1S,2S)-2-fluorocyclopropyl]methyl]imidazo[1,2-a]pyrazin-2-amine.

Molecular Properties

Compound Name6-[5-chloro-6-fluoro-7-(1-methoxypropan-2-ylamino)-1H-indazol-4-yl]-N-[[(1S,2S)-2-fluorocyclopropyl]methyl]imidazo[1,2-a]pyrazin-2-amine
PubChem CID166996375
Molecular FormulaC21H22ClF2N7O
Molecular Weight461.90 g/mol
Exact Mass461.15
IUPAC Name6-[5-chloro-6-fluoro-7-(1-methoxypropan-2-ylamino)-1H-indazol-4-yl]-N-[[(1S,2S)-2-fluorocyclopropyl]methyl]imidazo[1,2-a]pyrazin-2-amine
SMILESCOCC(C)Nc1c(F)c(Cl)c(-c2cn3cc(NC[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C21H22ClF2N7O/c1-10(9-32-2)28-21-19(24)18(22)17(12-5-27-30-20(12)21)14-7-31-8-15(29-16(31)6-25-14)26-4-11-3-13(11)23/h5-8,10-11,13,26,28H,3-4,9H2,1-2H3,(H,27,30)/t10?,11-,13-/m0/s1
InChIKeyUGVPCIWUKDVPPW-KUNJKIHDSA-N
XLogP4.28
TPSA92.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.90
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[5-chloro-6-fluoro-7-(1-methoxypropan-2-ylamino)-1H-indazol-4-yl]-N-[[(1S,2S)-2-fluorocyclopropyl]methyl]imidazo[1,2-a]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-6-fluoro-7-(1-methoxypropan-2-ylamino)-1H-indazol-4-yl]-N-[[(1S,2S)-2-fluorocyclopropyl]methyl]imidazo[1,2-a]pyrazin-2-amine?
The IUPAC name of 6-[5-chloro-6-fluoro-7-(1-methoxypropan-2-ylamino)-1H-indazol-4-yl]-N-[[(1S,2S)-2-fluorocyclopropyl]methyl]imidazo[1,2-a]pyrazin-2-amine (CID 166996375) is 6-[5-chloro-6-fluoro-7-(1-methoxypropan-2-ylamino)-1H-indazol-4-yl]-N-[[(1S,2S)-2-fluorocyclopropyl]methyl]imidazo[1,2-a]pyrazin-2-amine.
What is the SMILES notation for 6-[5-chloro-6-fluoro-7-(1-methoxypropan-2-ylamino)-1H-indazol-4-yl]-N-[[(1S,2S)-2-fluorocyclopropyl]methyl]imidazo[1,2-a]pyrazin-2-amine?
The canonical SMILES for 6-[5-chloro-6-fluoro-7-(1-methoxypropan-2-ylamino)-1H-indazol-4-yl]-N-[[(1S,2S)-2-fluorocyclopropyl]methyl]imidazo[1,2-a]pyrazin-2-amine is COCC(C)Nc1c(F)c(Cl)c(-c2cn3cc(NC[C@@H]4C[C@@H]4F)nc3cn2)c2cn[nH]c12.
What is the InChIKey of 6-[5-chloro-6-fluoro-7-(1-methoxypropan-2-ylamino)-1H-indazol-4-yl]-N-[[(1S,2S)-2-fluorocyclopropyl]methyl]imidazo[1,2-a]pyrazin-2-amine?
The InChIKey is UGVPCIWUKDVPPW-KUNJKIHDSA-N. The full InChI is InChI=1S/C21H22ClF2N7O/c1-10(9-32-2)28-21-19(24)18(22)17(12-5-27-30-20(12)21)14-7-31-8-15(29-16(31)6-25-14)26-4-11-3-13(11)23/h5-8,10-11,13,26,28H,3-4,9H2,1-2H3,(H,27,30)/t10?,11-,13-/m0/s1.
What are the key properties of 6-[5-chloro-6-fluoro-7-(1-methoxypropan-2-ylamino)-1H-indazol-4-yl]-N-[[(1S,2S)-2-fluorocyclopropyl]methyl]imidazo[1,2-a]pyrazin-2-amine?
6-[5-chloro-6-fluoro-7-(1-methoxypropan-2-ylamino)-1H-indazol-4-yl]-N-[[(1S,2S)-2-fluorocyclopropyl]methyl]imidazo[1,2-a]pyrazin-2-amine has a molecular weight of 461.90 g/mol, XLogP of 4.28, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-6-fluoro-7-(1-methoxypropan-2-ylamino)-1H-indazol-4-yl]-N-[[(1S,2S)-2-fluorocyclopropyl]methyl]imidazo[1,2-a]pyrazin-2-amine is sourced from PubChem (CID 166996375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).