N-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-5-cyclohexyl-1H-pyrazole-4-carboxamide

C17H23N5O3 — CID 56756015

IUPACN-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-5-cyclohexyl-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@H]1C[C@H]2C(=O)NCC(=O)N2C1)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C17H23N5O3/c23-14-8-18-17(25)13-6-11(9-22(13)14)20-16(24)12-7-19-21-15(12)10-4-2-1-3-5-10/h7,10-11,13H,1-6,8-9H2,(H,18,25)(H,19,21)(H,20,24)/t11-,13-/m0/s1
InChIKeyTXPWDPKPGWMWRD-AAEUAGOBSA-N
MW345.40 g/mol
LogP0.29
Rot. Bonds3

About N-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-5-cyclohexyl-1H-pyrazole-4-carboxamide

N-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-5-cyclohexyl-1H-pyrazole-4-carboxamide (PubChem CID 56756015) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-5-cyclohexyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-5-cyclohexyl-1H-pyrazole-4-carboxamide
PubChem CID56756015
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-5-cyclohexyl-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@H]1C[C@H]2C(=O)NCC(=O)N2C1)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C17H23N5O3/c23-14-8-18-17(25)13-6-11(9-22(13)14)20-16(24)12-7-19-21-15(12)10-4-2-1-3-5-10/h7,10-11,13H,1-6,8-9H2,(H,18,25)(H,19,21)(H,20,24)/t11-,13-/m0/s1
InChIKeyTXPWDPKPGWMWRD-AAEUAGOBSA-N
XLogP0.29
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-5-cyclohexyl-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 121494874
N-[(7R,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 50975867
N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-5-cyclohexyl-1H-pyrazole-4-carboxamide
CID 172657705
N-[(8R,9aS)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]pyridine-4-carboxamide
CID 162803971
5-cyclohexyl-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-pyrazole-4-carboxamide
CID 154566671
5-cyclohexyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 70716700
N-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-2-amino-6-(2-methylpropyl)pyrimidine-4-carboxamide
CID 56751755
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 95721732
N-(1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl)thiophene-2-carboxamide
CID 3870730
5-cyclohexyl-N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-1H-pyrazole-4-carboxamide
CID 146042455
N-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-2-(2-methylphenyl)sulfanylacetamide
CID 56865483
(5-cyclohexyl-1H-pyrazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 70732469

Frequently Asked Questions

What is the IUPAC name of N-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-5-cyclohexyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-5-cyclohexyl-1H-pyrazole-4-carboxamide (CID 56756015) is N-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-5-cyclohexyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-5-cyclohexyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-5-cyclohexyl-1H-pyrazole-4-carboxamide is O=C(N[C@H]1C[C@H]2C(=O)NCC(=O)N2C1)c1cn[nH]c1C1CCCCC1.
What is the InChIKey of N-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-5-cyclohexyl-1H-pyrazole-4-carboxamide?
The InChIKey is TXPWDPKPGWMWRD-AAEUAGOBSA-N. The full InChI is InChI=1S/C17H23N5O3/c23-14-8-18-17(25)13-6-11(9-22(13)14)20-16(24)12-7-19-21-15(12)10-4-2-1-3-5-10/h7,10-11,13H,1-6,8-9H2,(H,18,25)(H,19,21)(H,20,24)/t11-,13-/m0/s1.
What are the key properties of N-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-5-cyclohexyl-1H-pyrazole-4-carboxamide?
N-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-5-cyclohexyl-1H-pyrazole-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-5-cyclohexyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 56756015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).