(6-chloro-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl)-[(1S)-1-phenylethyl]carbamic acid

C18H19ClN4O2 — CID 170318199

IUPAC(6-chloro-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl)-[(1S)-1-phenylethyl]carbamic acid
SMILESCC(C)c1cnc2c(N(C(=O)O)[C@@H](C)c3ccccc3)nc(Cl)cn12
InChIInChI=1S/C18H19ClN4O2/c1-11(2)14-9-20-16-17(21-15(19)10-22(14)16)23(18(24)25)12(3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,24,25)/t12-/m0/s1
InChIKeyPCUCJAGMEAKPJW-LBPRGKRZSA-N
MW358.83 g/mol
LogP4.75
Rot. Bonds4

About (6-chloro-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl)-[(1S)-1-phenylethyl]carbamic acid

(6-chloro-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl)-[(1S)-1-phenylethyl]carbamic acid (PubChem CID 170318199) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is (6-chloro-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl)-[(1S)-1-phenylethyl]carbamic acid.

Molecular Properties

Compound Name(6-chloro-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl)-[(1S)-1-phenylethyl]carbamic acid
PubChem CID170318199
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name(6-chloro-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl)-[(1S)-1-phenylethyl]carbamic acid
SMILESCC(C)c1cnc2c(N(C(=O)O)[C@@H](C)c3ccccc3)nc(Cl)cn12
InChIInChI=1S/C18H19ClN4O2/c1-11(2)14-9-20-16-17(21-15(19)10-22(14)16)23(18(24)25)12(3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,24,25)/t12-/m0/s1
InChIKeyPCUCJAGMEAKPJW-LBPRGKRZSA-N
XLogP4.75
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-8-methyl-3-propan-2-ylimidazo[1,2-a]pyridine
CID 130603885
6-chloro-N-methyl-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 103336949
methyl(1-phenylethyl)carbamic acid
CID 67062794
(2-bromo-6-propan-2-ylphenyl)-[(1R)-1-phenylethyl]carbamic acid
CID 122442062
6,8-dibromo-3-propan-2-ylimidazo[1,2-a]pyrazine
CID 146674151
tert-butyl N-benzyl-N-(6-chloro-3-propan-2-ylimidazo[1,2-b]pyridazin-8-yl)carbamate
CID 162765338
fluoro(1-phenylethyl)carbamic acid
CID 152621646
acetic acid;cumene
CID 172767405
(1-oxo-1-phenylpropan-2-yl) 6-chloropyridine-3-carboxylate
CID 55313890
2-chloro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid
CID 139436729
2-chloro-N-[(1R)-1-phenylethyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine
CID 169323639
cumene;zinc
CID 159490121

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl)-[(1S)-1-phenylethyl]carbamic acid?
The IUPAC name of (6-chloro-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl)-[(1S)-1-phenylethyl]carbamic acid (CID 170318199) is (6-chloro-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl)-[(1S)-1-phenylethyl]carbamic acid.
What is the SMILES notation for (6-chloro-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl)-[(1S)-1-phenylethyl]carbamic acid?
The canonical SMILES for (6-chloro-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl)-[(1S)-1-phenylethyl]carbamic acid is CC(C)c1cnc2c(N(C(=O)O)[C@@H](C)c3ccccc3)nc(Cl)cn12.
What is the InChIKey of (6-chloro-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl)-[(1S)-1-phenylethyl]carbamic acid?
The InChIKey is PCUCJAGMEAKPJW-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-11(2)14-9-20-16-17(21-15(19)10-22(14)16)23(18(24)25)12(3)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,24,25)/t12-/m0/s1.
What are the key properties of (6-chloro-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl)-[(1S)-1-phenylethyl]carbamic acid?
(6-chloro-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl)-[(1S)-1-phenylethyl]carbamic acid has a molecular weight of 358.83 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl)-[(1S)-1-phenylethyl]carbamic acid is sourced from PubChem (CID 170318199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).