N-[5-[(8aR)-3-butan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide

C25H35N7O2 — CID 145493475

IUPACN-[5-[(8aR)-3-butan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide
SMILESCCC(C)C1CN2CCC[C@@H]2CN1C(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2C1(C)C
InChIInChI=1S/C25H35N7O2/c1-5-16(2)20-15-30-12-8-9-17(30)13-31(20)24(34)32-14-18-21(25(32,3)4)28-29-22(18)27-23(33)19-10-6-7-11-26-19/h6-7,10-11,16-17,20H,5,8-9,12-15H2,1-4H3,(H2,27,28,29,33)/t16?,17-,20?/m1/s1
InChIKeyXEUQDUSDKFGRST-OHTSDLOESA-N
MW465.60 g/mol
LogP3.42
Rot. Bonds4

About N-[5-[(8aR)-3-butan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide

N-[5-[(8aR)-3-butan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide (PubChem CID 145493475) has the molecular formula C25H35N7O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[5-[(8aR)-3-butan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(8aR)-3-butan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide
PubChem CID145493475
Molecular FormulaC25H35N7O2
Molecular Weight465.60 g/mol
Exact Mass465.29
IUPAC NameN-[5-[(8aR)-3-butan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide
SMILESCCC(C)C1CN2CCC[C@@H]2CN1C(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2C1(C)C
InChIInChI=1S/C25H35N7O2/c1-5-16(2)20-15-30-12-8-9-17(30)13-31(20)24(34)32-14-18-21(25(32,3)4)28-29-22(18)27-23(33)19-10-6-7-11-26-19/h6-7,10-11,16-17,20H,5,8-9,12-15H2,1-4H3,(H2,27,28,29,33)/t16?,17-,20?/m1/s1
InChIKeyXEUQDUSDKFGRST-OHTSDLOESA-N
XLogP3.42
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[(8aR)-3-butan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[5-[(3S)-3-(cyclohexylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide
CID 145493466
N-[5-[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-ethylpyridine-2-carboxamide
CID 66739299
N-[5-[(2S,5S)-2,5-dimethyl-4-propylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide
CID 66738806
N-[5-(1-cyclobutyl-4-fluoropiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide
CID 59508321
N-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 59508127
N-[5-(6,8-dimethyl-6,9-diazaspiro[4.5]decane-9-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;ethane
CID 145493427
N-[5-[(3S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide;methane
CID 91970558
N-[6,6-dimethyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2-azabicyclo[4.2.1]nona-2,4-diene-5-carboxamide
CID 145493456
4,5-dichloro-N-[(6R)-6-ethyl-6-methyl-5-[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1,3-thiazole-2-carboxamide
CID 145493450
N-[5-[(2S,5R)-2,5-dimethyl-4-(oxan-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyrazine-2-carboxamide
CID 59508250
5-fluoro-N-[5-[(2S,5R)-4-(2-methoxyethyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide
CID 59508351
N-[5-[(2S,5R)-2,5-dimethyl-4-(oxan-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 25096169

Frequently Asked Questions

What is the IUPAC name of N-[5-[(8aR)-3-butan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-[(8aR)-3-butan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide (CID 145493475) is N-[5-[(8aR)-3-butan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-[(8aR)-3-butan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-[(8aR)-3-butan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide is CCC(C)C1CN2CCC[C@@H]2CN1C(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2C1(C)C.
What is the InChIKey of N-[5-[(8aR)-3-butan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide?
The InChIKey is XEUQDUSDKFGRST-OHTSDLOESA-N. The full InChI is InChI=1S/C25H35N7O2/c1-5-16(2)20-15-30-12-8-9-17(30)13-31(20)24(34)32-14-18-21(25(32,3)4)28-29-22(18)27-23(33)19-10-6-7-11-26-19/h6-7,10-11,16-17,20H,5,8-9,12-15H2,1-4H3,(H2,27,28,29,33)/t16?,17-,20?/m1/s1.
What are the key properties of N-[5-[(8aR)-3-butan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide?
N-[5-[(8aR)-3-butan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(8aR)-3-butan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 145493475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).