N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)benzamide

C25H25N7O4 — CID 118637868

IUPACN-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)benzamide
SMILESCC(C)N1CCn2c(CNC(=O)c3cccc(Nc4nccc5[nH]ncc45)c3)cc(=O)c(O)c2C1=O
InChIInChI=1S/C25H25N7O4/c1-14(2)31-8-9-32-17(11-20(33)22(34)21(32)25(31)36)12-27-24(35)15-4-3-5-16(10-15)29-23-18-13-28-30-19(18)6-7-26-23/h3-7,10-11,13-14,34H,8-9,12H2,1-2H3,(H,26,29)(H,27,35)(H,28,30)
InChIKeyOIWJKKANDIHHHI-UHFFFAOYSA-N
MW487.52 g/mol
LogP2.36
Rot. Bonds6

About N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)benzamide

N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)benzamide (PubChem CID 118637868) has the molecular formula C25H25N7O4 and a molecular weight of 487.52 g/mol. Its IUPAC name is N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)benzamide
PubChem CID118637868
Molecular FormulaC25H25N7O4
Molecular Weight487.52 g/mol
Exact Mass487.20
IUPAC NameN-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)benzamide
SMILESCC(C)N1CCn2c(CNC(=O)c3cccc(Nc4nccc5[nH]ncc45)c3)cc(=O)c(O)c2C1=O
InChIInChI=1S/C25H25N7O4/c1-14(2)31-8-9-32-17(11-20(33)22(34)21(32)25(31)36)12-27-24(35)15-4-3-5-16(10-15)29-23-18-13-28-30-19(18)6-7-26-23/h3-7,10-11,13-14,34H,8-9,12H2,1-2H3,(H,26,29)(H,27,35)(H,28,30)
InChIKeyOIWJKKANDIHHHI-UHFFFAOYSA-N
XLogP2.36
TPSA145.24 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.52
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)benzamide?
The IUPAC name of N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)benzamide (CID 118637868) is N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)benzamide.
What is the SMILES notation for N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)benzamide?
The canonical SMILES for N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)benzamide is CC(C)N1CCn2c(CNC(=O)c3cccc(Nc4nccc5[nH]ncc45)c3)cc(=O)c(O)c2C1=O.
What is the InChIKey of N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)benzamide?
The InChIKey is OIWJKKANDIHHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O4/c1-14(2)31-8-9-32-17(11-20(33)22(34)21(32)25(31)36)12-27-24(35)15-4-3-5-16(10-15)29-23-18-13-28-30-19(18)6-7-26-23/h3-7,10-11,13-14,34H,8-9,12H2,1-2H3,(H,26,29)(H,27,35)(H,28,30).
What are the key properties of N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)benzamide?
N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)benzamide has a molecular weight of 487.52 g/mol, XLogP of 2.36, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-(1H-pyrazolo[4,5-c]pyridin-4-ylamino)benzamide is sourced from PubChem (CID 118637868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).