[3-(8-amino-2-chloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]carbamic acid

C14H13ClFN5O2 — CID 67984598

IUPAC[3-(8-amino-2-chloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]carbamic acid
SMILESCC1(c2cc(NC(=O)O)ccc2F)Cn2cc(Cl)nc2C(N)=N1
InChIInChI=1S/C14H13ClFN5O2/c1-14(6-21-5-10(15)19-12(21)11(17)20-14)8-4-7(18-13(22)23)2-3-9(8)16/h2-5,18H,6H2,1H3,(H2,17,20)(H,22,23)
InChIKeyGNMVZPSMVACEMF-UHFFFAOYSA-N
MW337.74 g/mol
LogP2.40
Rot. Bonds2

About [3-(8-amino-2-chloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]carbamic acid

[3-(8-amino-2-chloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]carbamic acid (PubChem CID 67984598) has the molecular formula C14H13ClFN5O2 and a molecular weight of 337.74 g/mol. Its IUPAC name is [3-(8-amino-2-chloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]carbamic acid.

Molecular Properties

Compound Name[3-(8-amino-2-chloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]carbamic acid
PubChem CID67984598
Molecular FormulaC14H13ClFN5O2
Molecular Weight337.74 g/mol
Exact Mass337.07
IUPAC Name[3-(8-amino-2-chloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]carbamic acid
SMILESCC1(c2cc(NC(=O)O)ccc2F)Cn2cc(Cl)nc2C(N)=N1
InChIInChI=1S/C14H13ClFN5O2/c1-14(6-21-5-10(15)19-12(21)11(17)20-14)8-4-7(18-13(22)23)2-3-9(8)16/h2-5,18H,6H2,1H3,(H2,17,20)(H,22,23)
InChIKeyGNMVZPSMVACEMF-UHFFFAOYSA-N
XLogP2.40
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.74
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(6R)-8-amino-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 123998272
6-(5-amino-2-fluorophenyl)-2-iodo-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine
CID 67984343
tert-butyl 2-[3-[2-chloro-6-methyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]acetate
CID 152940939
N-[3-(8-amino-6-methyl-5H-imidazo[1,5-a]pyrazin-6-yl)-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 123618518
N-[3-[4-amino-2-(difluoromethyl)-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 121353289
N-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 123894882
(6R)-8-amino-6-[5-[1-(5-chloro-2-pyridinyl)ethenylamino]-2-fluorophenyl]-6-methyl-2-(2,2,2-trifluoroethyl)-5H-imidazo[1,5-a]pyrazin-3-one
CID 144756170
tert-butyl N-[(6R)-6-(5-amino-2-fluorophenyl)-2,3-dichloro-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamate
CID 86699182
N-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 123752471
N-[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]-3,5-dichloropyrazine-2-carboxamide
CID 57480381
N-[3-(5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl)-4-fluorophenyl]-4-chlorobenzamide
CID 77143136
N-[3-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 75603740

Frequently Asked Questions

What is the IUPAC name of [3-(8-amino-2-chloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]carbamic acid?
The IUPAC name of [3-(8-amino-2-chloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]carbamic acid (CID 67984598) is [3-(8-amino-2-chloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]carbamic acid.
What is the SMILES notation for [3-(8-amino-2-chloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]carbamic acid?
The canonical SMILES for [3-(8-amino-2-chloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]carbamic acid is CC1(c2cc(NC(=O)O)ccc2F)Cn2cc(Cl)nc2C(N)=N1.
What is the InChIKey of [3-(8-amino-2-chloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]carbamic acid?
The InChIKey is GNMVZPSMVACEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN5O2/c1-14(6-21-5-10(15)19-12(21)11(17)20-14)8-4-7(18-13(22)23)2-3-9(8)16/h2-5,18H,6H2,1H3,(H2,17,20)(H,22,23).
What are the key properties of [3-(8-amino-2-chloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]carbamic acid?
[3-(8-amino-2-chloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]carbamic acid has a molecular weight of 337.74 g/mol, XLogP of 2.40, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(8-amino-2-chloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]carbamic acid is sourced from PubChem (CID 67984598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).