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

C23H22N8O — CID 165415133

IUPACN-[(1-benzylimidazol-2-yl)methyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(NCc1nccn1Cc1ccccc1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C23H22N8O/c32-23(28-13-20-26-8-9-31(20)14-16-4-2-1-3-5-16)21-22(29-18-10-24-15-25-11-18)27-12-19(30-21)17-6-7-17/h1-5,8-12,15,17H,6-7,13-14H2,(H,27,29)(H,28,32)
InChIKeyHXMLXYMYSILQGT-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.06
Rot. Bonds8

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

N-[(1-benzylimidazol-2-yl)methyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165415133) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID165415133
Molecular FormulaC23H22N8O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(NCc1nccn1Cc1ccccc1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C23H22N8O/c32-23(28-13-20-26-8-9-31(20)14-16-4-2-1-3-5-16)21-22(29-18-10-24-15-25-11-18)27-12-19(30-21)17-6-7-17/h1-5,8-12,15,17H,6-7,13-14H2,(H,27,29)(H,28,32)
InChIKeyHXMLXYMYSILQGT-UHFFFAOYSA-N
XLogP3.06
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165415133) is N-[(1-benzylimidazol-2-yl)methyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is O=C(NCc1nccn1Cc1ccccc1)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is HXMLXYMYSILQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O/c32-23(28-13-20-26-8-9-31(20)14-16-4-2-1-3-5-16)21-22(29-18-10-24-15-25-11-18)27-12-19(30-21)17-6-7-17/h1-5,8-12,15,17H,6-7,13-14H2,(H,27,29)(H,28,32).
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
N-[(1-benzylimidazol-2-yl)methyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165415133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).