N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-(1,3-oxazol-4-yl)acetamide

C21H18ClFN8O2 — CID 169196004

IUPACN-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-(1,3-oxazol-4-yl)acetamide
SMILESCC(C)Nc1c(F)c(Cl)c(-c2cn3cc(NC(=O)Cc4cocn4)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C21H18ClFN8O2/c1-10(2)27-21-19(23)18(22)17(12-4-26-30-20(12)21)13-6-31-7-14(28-15(31)5-24-13)29-16(32)3-11-8-33-9-25-11/h4-10,27H,3H2,1-2H3,(H,26,30)(H,29,32)
InChIKeyWLCJYXGOEDLOKL-UHFFFAOYSA-N
MW468.88 g/mol
LogP4.05
Rot. Bonds6

About N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-(1,3-oxazol-4-yl)acetamide

N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-(1,3-oxazol-4-yl)acetamide (PubChem CID 169196004) has the molecular formula C21H18ClFN8O2 and a molecular weight of 468.88 g/mol. Its IUPAC name is N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-(1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-(1,3-oxazol-4-yl)acetamide
PubChem CID169196004
Molecular FormulaC21H18ClFN8O2
Molecular Weight468.88 g/mol
Exact Mass468.12
IUPAC NameN-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-(1,3-oxazol-4-yl)acetamide
SMILESCC(C)Nc1c(F)c(Cl)c(-c2cn3cc(NC(=O)Cc4cocn4)nc3cn2)c2cn[nH]c12
InChIInChI=1S/C21H18ClFN8O2/c1-10(2)27-21-19(23)18(22)17(12-4-26-30-20(12)21)13-6-31-7-14(28-15(31)5-24-13)29-16(32)3-11-8-33-9-25-11/h4-10,27H,3H2,1-2H3,(H,26,30)(H,29,32)
InChIKeyWLCJYXGOEDLOKL-UHFFFAOYSA-N
XLogP4.05
TPSA126.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.88
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]pentanamide
CID 169196167
propan-2-yl N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]carbamate
CID 169195931
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 164717942
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
N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]oxolane-3-carboxamide
CID 169196068
cis-(1S,2S)-N-[6-[5-chloro-7-(1,1-difluoropropan-2-ylamino)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 163220696
cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(1-hydroxypropan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide;formic acid
CID 165076763
cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(methylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520650
N-[6-[5-chloro-6-fluoro-7-(prop-2-ynylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164717885
2-[[5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropyl]methylamino]imidazo[1,2-a]pyrazin-6-yl]-1H-indazol-7-yl]amino]propan-1-ol
CID 166996181
cis-(1S,2S)-N-[6-[7-(1-aminoethyl)-5-chloro-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 163220631
N-[6-[5-chloro-6-fluoro-7-(2-methylpropanoyl)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
CID 163220648

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-(1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-(1,3-oxazol-4-yl)acetamide (CID 169196004) is N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-(1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-(1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-(1,3-oxazol-4-yl)acetamide is CC(C)Nc1c(F)c(Cl)c(-c2cn3cc(NC(=O)Cc4cocn4)nc3cn2)c2cn[nH]c12.
What is the InChIKey of N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-(1,3-oxazol-4-yl)acetamide?
The InChIKey is WLCJYXGOEDLOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN8O2/c1-10(2)27-21-19(23)18(22)17(12-4-26-30-20(12)21)13-6-31-7-14(28-15(31)5-24-13)29-16(32)3-11-8-33-9-25-11/h4-10,27H,3H2,1-2H3,(H,26,30)(H,29,32).
What are the key properties of N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-(1,3-oxazol-4-yl)acetamide?
N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-(1,3-oxazol-4-yl)acetamide has a molecular weight of 468.88 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-chloro-6-fluoro-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]-2-(1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 169196004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).