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]-5-cyclopropyl-1H-pyrazole-3-carboxamide

C23H32N8O2 — CID 59508362

IUPACN-[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]-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESC[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cc(C4CC4)[nH]n3)n[nH]c2C1(C)C
InChIInChI=1S/C23H32N8O2/c1-13-10-29-8-4-5-15(29)11-30(13)22(33)31-12-16-19(23(31,2)3)27-28-20(16)24-21(32)18-9-17(25-26-18)14-6-7-14/h9,13-15H,4-8,10-12H2,1-3H3,(H,25,26)(H2,24,27,28,32)/t13-,15-/m0/s1
InChIKeyFNLWFQSUKZHHID-ZFWWWQNUSA-N
MW452.56 g/mol
LogP2.60
Rot. Bonds3

About 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]-5-cyclopropyl-1H-pyrazole-3-carboxamide

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]-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 59508362) has the molecular formula C23H32N8O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 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]-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[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]-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID59508362
Molecular FormulaC23H32N8O2
Molecular Weight452.56 g/mol
Exact Mass452.26
IUPAC NameN-[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]-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESC[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cc(C4CC4)[nH]n3)n[nH]c2C1(C)C
InChIInChI=1S/C23H32N8O2/c1-13-10-29-8-4-5-15(29)11-30(13)22(33)31-12-16-19(23(31,2)3)27-28-20(16)24-21(32)18-9-17(25-26-18)14-6-7-14/h9,13-15H,4-8,10-12H2,1-3H3,(H,25,26)(H2,24,27,28,32)/t13-,15-/m0/s1
InChIKeyFNLWFQSUKZHHID-ZFWWWQNUSA-N
XLogP2.60
TPSA113.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 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]-5-cyclopropyl-1H-pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 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]-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 59508362) is 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]-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 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]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 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]-5-cyclopropyl-1H-pyrazole-3-carboxamide is C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cc(C4CC4)[nH]n3)n[nH]c2C1(C)C.
What is the InChIKey of 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]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is FNLWFQSUKZHHID-ZFWWWQNUSA-N. The full InChI is InChI=1S/C23H32N8O2/c1-13-10-29-8-4-5-15(29)11-30(13)22(33)31-12-16-19(23(31,2)3)27-28-20(16)24-21(32)18-9-17(25-26-18)14-6-7-14/h9,13-15H,4-8,10-12H2,1-3H3,(H,25,26)(H2,24,27,28,32)/t13-,15-/m0/s1.
What are the key properties of 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]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
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]-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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]-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 59508362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).