2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C31H33N7O5 — CID 118621132

IUPAC2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)N1CCn2c(CNC(=O)C[C@H](NC(=O)c3c[nH]c4ncc(C5CC5)nc34)c3ccccc3)cc(=O)c(O)c2C1=O
InChIInChI=1S/C31H33N7O5/c1-17(2)37-10-11-38-20(12-24(39)28(41)27(38)31(37)43)14-32-25(40)13-22(18-6-4-3-5-7-18)36-30(42)21-15-33-29-26(21)35-23(16-34-29)19-8-9-19/h3-7,12,15-17,19,22,41H,8-11,13-14H2,1-2H3,(H,32,40)(H,33,34)(H,36,42)/t22-/m0/s1
InChIKeyFNQBHJYDMGPXQS-QFIPXVFZSA-N
MW583.65 g/mol
LogP2.74
Rot. Bonds9

About 2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 118621132) has the molecular formula C31H33N7O5 and a molecular weight of 583.65 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID118621132
Molecular FormulaC31H33N7O5
Molecular Weight583.65 g/mol
Exact Mass583.25
IUPAC Name2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)N1CCn2c(CNC(=O)C[C@H](NC(=O)c3c[nH]c4ncc(C5CC5)nc34)c3ccccc3)cc(=O)c(O)c2C1=O
InChIInChI=1S/C31H33N7O5/c1-17(2)37-10-11-38-20(12-24(39)28(41)27(38)31(37)43)14-32-25(40)13-22(18-6-4-3-5-7-18)36-30(42)21-15-33-29-26(21)35-23(16-34-29)19-8-9-19/h3-7,12,15-17,19,22,41H,8-11,13-14H2,1-2H3,(H,32,40)(H,33,34)(H,36,42)/t22-/m0/s1
InChIKeyFNQBHJYDMGPXQS-QFIPXVFZSA-N
XLogP2.74
TPSA162.31 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.65
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 118621132) is 2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)N1CCn2c(CNC(=O)C[C@H](NC(=O)c3c[nH]c4ncc(C5CC5)nc34)c3ccccc3)cc(=O)c(O)c2C1=O.
What is the InChIKey of 2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is FNQBHJYDMGPXQS-QFIPXVFZSA-N. The full InChI is InChI=1S/C31H33N7O5/c1-17(2)37-10-11-38-20(12-24(39)28(41)27(38)31(37)43)14-32-25(40)13-22(18-6-4-3-5-7-18)36-30(42)21-15-33-29-26(21)35-23(16-34-29)19-8-9-19/h3-7,12,15-17,19,22,41H,8-11,13-14H2,1-2H3,(H,32,40)(H,33,34)(H,36,42)/t22-/m0/s1.
What are the key properties of 2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 583.65 g/mol, XLogP of 2.74, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 118621132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).