4-[6-[cyclohexylmethyl(methyl)amino]-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide

C30H40N6O2 — CID 66615244

IUPAC4-[6-[cyclohexylmethyl(methyl)amino]-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
SMILESCN(CC1CCCCC1)c1cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc2c(NCC2CCOCC2)n1
InChIInChI=1S/C30H40N6O2/c1-35(19-22-5-3-2-4-6-22)27-20-36-26(23-7-9-24(10-8-23)30(37)33-25-11-12-25)18-32-29(36)28(34-27)31-17-21-13-15-38-16-14-21/h7-10,18,20-22,25H,2-6,11-17,19H2,1H3,(H,31,34)(H,33,37)
InChIKeyVYCBROFZUQZTOA-UHFFFAOYSA-N
MW516.69 g/mol
LogP5.14
Rot. Bonds9

About 4-[6-[cyclohexylmethyl(methyl)amino]-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide

4-[6-[cyclohexylmethyl(methyl)amino]-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide (PubChem CID 66615244) has the molecular formula C30H40N6O2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 4-[6-[cyclohexylmethyl(methyl)amino]-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[6-[cyclohexylmethyl(methyl)amino]-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
PubChem CID66615244
Molecular FormulaC30H40N6O2
Molecular Weight516.69 g/mol
Exact Mass516.32
IUPAC Name4-[6-[cyclohexylmethyl(methyl)amino]-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
SMILESCN(CC1CCCCC1)c1cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc2c(NCC2CCOCC2)n1
InChIInChI=1S/C30H40N6O2/c1-35(19-22-5-3-2-4-6-22)27-20-36-26(23-7-9-24(10-8-23)30(37)33-25-11-12-25)18-32-29(36)28(34-27)31-17-21-13-15-38-16-14-21/h7-10,18,20-22,25H,2-6,11-17,19H2,1H3,(H,31,34)(H,33,37)
InChIKeyVYCBROFZUQZTOA-UHFFFAOYSA-N
XLogP5.14
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[cyclohexylmethyl(methyl)amino]-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[6-[cyclohexylmethyl(methyl)amino]-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide (CID 66615244) is 4-[6-[cyclohexylmethyl(methyl)amino]-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[6-[cyclohexylmethyl(methyl)amino]-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[6-[cyclohexylmethyl(methyl)amino]-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide is CN(CC1CCCCC1)c1cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc2c(NCC2CCOCC2)n1.
What is the InChIKey of 4-[6-[cyclohexylmethyl(methyl)amino]-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The InChIKey is VYCBROFZUQZTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O2/c1-35(19-22-5-3-2-4-6-22)27-20-36-26(23-7-9-24(10-8-23)30(37)33-25-11-12-25)18-32-29(36)28(34-27)31-17-21-13-15-38-16-14-21/h7-10,18,20-22,25H,2-6,11-17,19H2,1H3,(H,31,34)(H,33,37).
What are the key properties of 4-[6-[cyclohexylmethyl(methyl)amino]-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
4-[6-[cyclohexylmethyl(methyl)amino]-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide has a molecular weight of 516.69 g/mol, XLogP of 5.14, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[cyclohexylmethyl(methyl)amino]-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 66615244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).