N-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide

C25H30N6O2 — CID 53194753

IUPACN-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide
SMILESCC(C)Cn1c(=O)c(N2CCN(C(=O)Nc3ccc4c(c3)CCC4)CC2)nc2ccncc21
InChIInChI=1S/C25H30N6O2/c1-17(2)16-31-22-15-26-9-8-21(22)28-23(24(31)32)29-10-12-30(13-11-29)25(33)27-20-7-6-18-4-3-5-19(18)14-20/h6-9,14-15,17H,3-5,10-13,16H2,1-2H3,(H,27,33)
InChIKeyGRFMKOBRQWICFV-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.29
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide (PubChem CID 53194753) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide
PubChem CID53194753
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide
SMILESCC(C)Cn1c(=O)c(N2CCN(C(=O)Nc3ccc4c(c3)CCC4)CC2)nc2ccncc21
InChIInChI=1S/C25H30N6O2/c1-17(2)16-31-22-15-26-9-8-21(22)28-23(24(31)32)29-10-12-30(13-11-29)25(33)27-20-7-6-18-4-3-5-19(18)14-20/h6-9,14-15,17H,3-5,10-13,16H2,1-2H3,(H,27,33)
InChIKeyGRFMKOBRQWICFV-UHFFFAOYSA-N
XLogP3.29
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-methyl-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide
CID 53194749
N-[(4-methylphenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide
CID 53194743
2-(4-benzoylpiperazin-1-yl)-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one
CID 53194727
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one
CID 53194693
N-(2,3-dihydro-1H-inden-5-yl)-4-thieno[3,2-d]pyrimidin-4-ylpiperazine-1-carboxamide
CID 127371695
N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17249760
N-(2,3-dihydro-1H-inden-5-yl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 17249562
N-(2,3-dihydro-1H-inden-5-yl)-4-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]piperazine-1-carboxamide
CID 50794345
(3S)-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97078501
N-(2,3-dihydro-1H-inden-5-yl)-4-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53120922
N-[3-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 97429558
4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 83277226

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide (CID 53194753) is N-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide is CC(C)Cn1c(=O)c(N2CCN(C(=O)Nc3ccc4c(c3)CCC4)CC2)nc2ccncc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide?
The InChIKey is GRFMKOBRQWICFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-17(2)16-31-22-15-26-9-8-21(22)28-23(24(31)32)29-10-12-30(13-11-29)25(33)27-20-7-6-18-4-3-5-19(18)14-20/h6-9,14-15,17H,3-5,10-13,16H2,1-2H3,(H,27,33).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 53194753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).