2-cyclopropyl-N-[3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)amino]-2-oxopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C31H33N7O5 — CID 118632762

IUPAC2-cyclopropyl-N-[3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)amino]-2-oxopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)N1CCn2c(NCC(=O)CNC(=O)c3c[nH]c4ncc(C5CC5)nc34)cc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C31H33N7O5/c1-18(2)37-10-11-38-25(12-24(40)28(27(38)31(37)42)43-17-19-6-4-3-5-7-19)32-13-21(39)14-35-30(41)22-15-33-29-26(22)36-23(16-34-29)20-8-9-20/h3-7,12,15-16,18,20,32H,8-11,13-14,17H2,1-2H3,(H,33,34)(H,35,41)
InChIKeyJNYSKXVAWZLPOO-UHFFFAOYSA-N
MW583.65 g/mol
LogP2.85
Rot. Bonds11

About 2-cyclopropyl-N-[3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)amino]-2-oxopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-cyclopropyl-N-[3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)amino]-2-oxopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 118632762) has the molecular formula C31H33N7O5 and a molecular weight of 583.65 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)amino]-2-oxopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)amino]-2-oxopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID118632762
Molecular FormulaC31H33N7O5
Molecular Weight583.65 g/mol
Exact Mass583.25
IUPAC Name2-cyclopropyl-N-[3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)amino]-2-oxopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)N1CCn2c(NCC(=O)CNC(=O)c3c[nH]c4ncc(C5CC5)nc34)cc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C31H33N7O5/c1-18(2)37-10-11-38-25(12-24(40)28(27(38)31(37)42)43-17-19-6-4-3-5-7-19)32-13-21(39)14-35-30(41)22-15-33-29-26(22)36-23(16-34-29)20-8-9-20/h3-7,12,15-16,18,20,32H,8-11,13-14,17H2,1-2H3,(H,33,34)(H,35,41)
InChIKeyJNYSKXVAWZLPOO-UHFFFAOYSA-N
XLogP2.85
TPSA151.31 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.65
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-cyclopropyl-N-[3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)amino]-2-oxopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)amino]-2-oxopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)amino]-2-oxopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 118632762) is 2-cyclopropyl-N-[3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)amino]-2-oxopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)amino]-2-oxopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)amino]-2-oxopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)N1CCn2c(NCC(=O)CNC(=O)c3c[nH]c4ncc(C5CC5)nc34)cc(=O)c(OCc3ccccc3)c2C1=O.
What is the InChIKey of 2-cyclopropyl-N-[3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)amino]-2-oxopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is JNYSKXVAWZLPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N7O5/c1-18(2)37-10-11-38-25(12-24(40)28(27(38)31(37)42)43-17-19-6-4-3-5-7-19)32-13-21(39)14-35-30(41)22-15-33-29-26(22)36-23(16-34-29)20-8-9-20/h3-7,12,15-16,18,20,32H,8-11,13-14,17H2,1-2H3,(H,33,34)(H,35,41).
What are the key properties of 2-cyclopropyl-N-[3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)amino]-2-oxopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-cyclopropyl-N-[3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)amino]-2-oxopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 583.65 g/mol, XLogP of 2.85, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)amino]-2-oxopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 118632762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).