6-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C24H24N8O — CID 165414852

IUPAC6-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCn1cc(-c2ccccc2)nc1CCNC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C24H24N8O/c1-32-14-20(16-5-3-2-4-6-16)30-21(32)9-10-27-24(33)22-23(29-18-11-25-15-26-12-18)28-13-19(31-22)17-7-8-17/h2-6,11-15,17H,7-10H2,1H3,(H,27,33)(H,28,29)
InChIKeyPWQNHUNDLJKSRI-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.26
Rot. Bonds8

About 6-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165414852) has the molecular formula C24H24N8O and a molecular weight of 440.51 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID165414852
Molecular FormulaC24H24N8O
Molecular Weight440.51 g/mol
Exact Mass440.21
IUPAC Name6-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCn1cc(-c2ccccc2)nc1CCNC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C24H24N8O/c1-32-14-20(16-5-3-2-4-6-16)30-21(32)9-10-27-24(33)22-23(29-18-11-25-15-26-12-18)28-13-19(31-22)17-7-8-17/h2-6,11-15,17H,7-10H2,1H3,(H,27,33)(H,28,29)
InChIKeyPWQNHUNDLJKSRI-UHFFFAOYSA-N
XLogP3.26
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165414852) is 6-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is Cn1cc(-c2ccccc2)nc1CCNC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is PWQNHUNDLJKSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O/c1-32-14-20(16-5-3-2-4-6-16)30-21(32)9-10-27-24(33)22-23(29-18-11-25-15-26-12-18)28-13-19(31-22)17-7-8-17/h2-6,11-15,17H,7-10H2,1H3,(H,27,33)(H,28,29).
What are the key properties of 6-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165414852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).