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

C23H33N7O2 — CID 66738806

IUPACN-[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
SMILESCCCN1C[C@H](C)N(C(=O)N2Cc3c(NC(=O)c4ccccn4)n[nH]c3C2(C)C)C[C@@H]1C
InChIInChI=1S/C23H33N7O2/c1-6-11-28-12-16(3)29(13-15(28)2)22(32)30-14-17-19(23(30,4)5)26-27-20(17)25-21(31)18-9-7-8-10-24-18/h7-10,15-16H,6,11-14H2,1-5H3,(H2,25,26,27,31)/t15-,16-/m0/s1
InChIKeyCBSVWMSXVGCVSP-HOTGVXAUSA-N
MW439.56 g/mol
LogP3.03
Rot. Bonds4

About 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

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 (PubChem CID 66738806) has the molecular formula C23H33N7O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID66738806
Molecular FormulaC23H33N7O2
Molecular Weight439.56 g/mol
Exact Mass439.27
IUPAC NameN-[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
SMILESCCCN1C[C@H](C)N(C(=O)N2Cc3c(NC(=O)c4ccccn4)n[nH]c3C2(C)C)C[C@@H]1C
InChIInChI=1S/C23H33N7O2/c1-6-11-28-12-16(3)29(13-15(28)2)22(32)30-14-17-19(23(30,4)5)26-27-20(17)25-21(31)18-9-7-8-10-24-18/h7-10,15-16H,6,11-14H2,1-5H3,(H2,25,26,27,31)/t15-,16-/m0/s1
InChIKeyCBSVWMSXVGCVSP-HOTGVXAUSA-N
XLogP3.03
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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-[(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-[(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
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]quinoxaline-2-carboxamide
CID 59508301
N-[5-[(2S,5R)-4-(3-methoxypropyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 59508157
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]-5-ethyl-1,3-oxazole-4-carboxamide
CID 66739042
N-[5-[(5R)-2,5-dimethyl-4-(oxan-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 122626067
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
CID 159667100
CID 159667100
N-[6,6-dimethyl-5-[(2S)-2-methyl-4-(oxan-4-ylmethyl)piperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-ethylimidazole-4-carboxamide;methane
CID 91970581

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCN1C[C@H](C)N(C(=O)N2Cc3c(NC(=O)c4ccccn4)n[nH]c3C2(C)C)C[C@@H]1C.
What is the InChIKey of 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?
The InChIKey is CBSVWMSXVGCVSP-HOTGVXAUSA-N. The full InChI is InChI=1S/C23H33N7O2/c1-6-11-28-12-16(3)29(13-15(28)2)22(32)30-14-17-19(23(30,4)5)26-27-20(17)25-21(31)18-9-7-8-10-24-18/h7-10,15-16H,6,11-14H2,1-5H3,(H2,25,26,27,31)/t15-,16-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 439.56 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66738806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).