8-(2-chloro-4-methoxyphenyl)-N-(cyclopropylmethyl)-2-ethyl-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-3-amine

C23H29ClN4O — CID 139991952

IUPAC8-(2-chloro-4-methoxyphenyl)-N-(cyclopropylmethyl)-2-ethyl-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-3-amine
SMILESCCc1nc2c(-c3ccc(OC)cc3Cl)nccn2c1N(CC(C)C)CC1CC1
InChIInChI=1S/C23H29ClN4O/c1-5-20-23(27(13-15(2)3)14-16-6-7-16)28-11-10-25-21(22(28)26-20)18-9-8-17(29-4)12-19(18)24/h8-12,15-16H,5-7,13-14H2,1-4H3
InChIKeyBEBQFMJSDUJBOV-UHFFFAOYSA-N
MW412.97 g/mol
LogP5.49
Rot. Bonds8

About 8-(2-chloro-4-methoxyphenyl)-N-(cyclopropylmethyl)-2-ethyl-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-3-amine

8-(2-chloro-4-methoxyphenyl)-N-(cyclopropylmethyl)-2-ethyl-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 139991952) has the molecular formula C23H29ClN4O and a molecular weight of 412.97 g/mol. Its IUPAC name is 8-(2-chloro-4-methoxyphenyl)-N-(cyclopropylmethyl)-2-ethyl-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound Name8-(2-chloro-4-methoxyphenyl)-N-(cyclopropylmethyl)-2-ethyl-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID139991952
Molecular FormulaC23H29ClN4O
Molecular Weight412.97 g/mol
Exact Mass412.20
IUPAC Name8-(2-chloro-4-methoxyphenyl)-N-(cyclopropylmethyl)-2-ethyl-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-3-amine
SMILESCCc1nc2c(-c3ccc(OC)cc3Cl)nccn2c1N(CC(C)C)CC1CC1
InChIInChI=1S/C23H29ClN4O/c1-5-20-23(27(13-15(2)3)14-16-6-7-16)28-11-10-25-21(22(28)26-20)18-9-8-17(29-4)12-19(18)24/h8-12,15-16H,5-7,13-14H2,1-4H3
InChIKeyBEBQFMJSDUJBOV-UHFFFAOYSA-N
XLogP5.49
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.97
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-4-methoxyphenyl)-N-(cyclopropylmethyl)-2-ethyl-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of 8-(2-chloro-4-methoxyphenyl)-N-(cyclopropylmethyl)-2-ethyl-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-3-amine (CID 139991952) is 8-(2-chloro-4-methoxyphenyl)-N-(cyclopropylmethyl)-2-ethyl-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for 8-(2-chloro-4-methoxyphenyl)-N-(cyclopropylmethyl)-2-ethyl-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for 8-(2-chloro-4-methoxyphenyl)-N-(cyclopropylmethyl)-2-ethyl-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-3-amine is CCc1nc2c(-c3ccc(OC)cc3Cl)nccn2c1N(CC(C)C)CC1CC1.
What is the InChIKey of 8-(2-chloro-4-methoxyphenyl)-N-(cyclopropylmethyl)-2-ethyl-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is BEBQFMJSDUJBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O/c1-5-20-23(27(13-15(2)3)14-16-6-7-16)28-11-10-25-21(22(28)26-20)18-9-8-17(29-4)12-19(18)24/h8-12,15-16H,5-7,13-14H2,1-4H3.
What are the key properties of 8-(2-chloro-4-methoxyphenyl)-N-(cyclopropylmethyl)-2-ethyl-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-3-amine?
8-(2-chloro-4-methoxyphenyl)-N-(cyclopropylmethyl)-2-ethyl-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 412.97 g/mol, XLogP of 5.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-4-methoxyphenyl)-N-(cyclopropylmethyl)-2-ethyl-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 139991952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).