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]-2,5-dimethylpyrazole-3-carboxamide

C26H40N8O3 — CID 66739116

IUPACN-[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]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CC4CCOCC4)C[C@@H]2C)C3(C)C)n(C)n1
InChIInChI=1S/C26H40N8O3/c1-16-11-21(31(6)30-16)24(35)27-23-20-15-34(26(4,5)22(20)28-29-23)25(36)33-13-17(2)32(12-18(33)3)14-19-7-9-37-10-8-19/h11,17-19H,7-10,12-15H2,1-6H3,(H2,27,28,29,35)/t17-,18+/m1/s1
InChIKeyFPKYEGCSKUUKGX-MSOLQXFVSA-N
MW512.66 g/mol
LogP2.70
Rot. Bonds4

About 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]-2,5-dimethylpyrazole-3-carboxamide

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]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 66739116) has the molecular formula C26H40N8O3 and a molecular weight of 512.66 g/mol. Its IUPAC name is 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]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[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]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID66739116
Molecular FormulaC26H40N8O3
Molecular Weight512.66 g/mol
Exact Mass512.32
IUPAC NameN-[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]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CC4CCOCC4)C[C@@H]2C)C3(C)C)n(C)n1
InChIInChI=1S/C26H40N8O3/c1-16-11-21(31(6)30-16)24(35)27-23-20-15-34(26(4,5)22(20)28-29-23)25(36)33-13-17(2)32(12-18(33)3)14-19-7-9-37-10-8-19/h11,17-19H,7-10,12-15H2,1-6H3,(H2,27,28,29,35)/t17-,18+/m1/s1
InChIKeyFPKYEGCSKUUKGX-MSOLQXFVSA-N
XLogP2.70
TPSA111.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.66
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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]-2,5-dimethylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 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]-2,5-dimethylpyrazole-3-carboxamide (CID 66739116) is 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]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 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]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 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]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CC4CCOCC4)C[C@@H]2C)C3(C)C)n(C)n1.
What is the InChIKey of 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]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is FPKYEGCSKUUKGX-MSOLQXFVSA-N. The full InChI is InChI=1S/C26H40N8O3/c1-16-11-21(31(6)30-16)24(35)27-23-20-15-34(26(4,5)22(20)28-29-23)25(36)33-13-17(2)32(12-18(33)3)14-19-7-9-37-10-8-19/h11,17-19H,7-10,12-15H2,1-6H3,(H2,27,28,29,35)/t17-,18+/m1/s1.
What are the key properties of 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]-2,5-dimethylpyrazole-3-carboxamide?
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]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 512.66 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 66739116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).