2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-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

C38H39N7O5 — CID 118632789

IUPAC2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-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(OCc3ccccc3)c2C1=O
InChIInChI=1S/C38H39N7O5/c1-23(2)44-15-16-45-27(17-31(46)35(34(45)38(44)49)50-22-24-9-5-3-6-10-24)19-39-32(47)18-29(25-11-7-4-8-12-25)43-37(48)28-20-40-36-33(28)42-30(21-41-36)26-13-14-26/h3-12,17,20-21,23,26,29H,13-16,18-19,22H2,1-2H3,(H,39,47)(H,40,41)(H,43,48)/t29-/m0/s1
InChIKeyBTIDKCIDZOYIKG-LJAQVGFWSA-N
MW673.77 g/mol
LogP4.62
Rot. Bonds12

About 2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-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-[(1,8-dioxo-9-phenylmethoxy-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 118632789) has the molecular formula C38H39N7O5 and a molecular weight of 673.77 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-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-[(1,8-dioxo-9-phenylmethoxy-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 CID118632789
Molecular FormulaC38H39N7O5
Molecular Weight673.77 g/mol
Exact Mass673.30
IUPAC Name2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-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(OCc3ccccc3)c2C1=O
InChIInChI=1S/C38H39N7O5/c1-23(2)44-15-16-45-27(17-31(46)35(34(45)38(44)49)50-22-24-9-5-3-6-10-24)19-39-32(47)18-29(25-11-7-4-8-12-25)43-37(48)28-20-40-36-33(28)42-30(21-41-36)26-13-14-26/h3-12,17,20-21,23,26,29H,13-16,18-19,22H2,1-2H3,(H,39,47)(H,40,41)(H,43,48)/t29-/m0/s1
InChIKeyBTIDKCIDZOYIKG-LJAQVGFWSA-N
XLogP4.62
TPSA151.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500673.77
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-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-[(1,8-dioxo-9-phenylmethoxy-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-[(1,8-dioxo-9-phenylmethoxy-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 118632789) is 2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-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-[(1,8-dioxo-9-phenylmethoxy-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-[(1,8-dioxo-9-phenylmethoxy-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(OCc3ccccc3)c2C1=O.
What is the InChIKey of 2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-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 BTIDKCIDZOYIKG-LJAQVGFWSA-N. The full InChI is InChI=1S/C38H39N7O5/c1-23(2)44-15-16-45-27(17-31(46)35(34(45)38(44)49)50-22-24-9-5-3-6-10-24)19-39-32(47)18-29(25-11-7-4-8-12-25)43-37(48)28-20-40-36-33(28)42-30(21-41-36)26-13-14-26/h3-12,17,20-21,23,26,29H,13-16,18-19,22H2,1-2H3,(H,39,47)(H,40,41)(H,43,48)/t29-/m0/s1.
What are the key properties of 2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-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-[(1,8-dioxo-9-phenylmethoxy-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 673.77 g/mol, XLogP of 4.62, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-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 118632789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).