N-[5-[(2S,5R)-2,5-dimethyl-4-(1,3-oxazol-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide

C24H30N8O3 — CID 66738980

IUPACN-[5-[(2S,5R)-2,5-dimethyl-4-(1,3-oxazol-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide
SMILESC[C@@H]1CN(C(=O)N2Cc3c(NC(=O)c4ccccn4)n[nH]c3C2(C)C)[C@@H](C)CN1Cc1cocn1
InChIInChI=1S/C24H30N8O3/c1-15-10-31(16(2)9-30(15)11-17-13-35-14-26-17)23(34)32-12-18-20(24(32,3)4)28-29-21(18)27-22(33)19-7-5-6-8-25-19/h5-8,13-16H,9-12H2,1-4H3,(H2,27,28,29,33)/t15-,16+/m1/s1
InChIKeyFJUWHXUMCJLAGB-CVEARBPZSA-N
MW478.56 g/mol
LogP2.81
Rot. Bonds4

About N-[5-[(2S,5R)-2,5-dimethyl-4-(1,3-oxazol-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide

N-[5-[(2S,5R)-2,5-dimethyl-4-(1,3-oxazol-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide (PubChem CID 66738980) has the molecular formula C24H30N8O3 and a molecular weight of 478.56 g/mol. Its IUPAC name is N-[5-[(2S,5R)-2,5-dimethyl-4-(1,3-oxazol-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2S,5R)-2,5-dimethyl-4-(1,3-oxazol-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide
PubChem CID66738980
Molecular FormulaC24H30N8O3
Molecular Weight478.56 g/mol
Exact Mass478.24
IUPAC NameN-[5-[(2S,5R)-2,5-dimethyl-4-(1,3-oxazol-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide
SMILESC[C@@H]1CN(C(=O)N2Cc3c(NC(=O)c4ccccn4)n[nH]c3C2(C)C)[C@@H](C)CN1Cc1cocn1
InChIInChI=1S/C24H30N8O3/c1-15-10-31(16(2)9-30(15)11-17-13-35-14-26-17)23(34)32-12-18-20(24(32,3)4)28-29-21(18)27-22(33)19-7-5-6-8-25-19/h5-8,13-16H,9-12H2,1-4H3,(H2,27,28,29,33)/t15-,16+/m1/s1
InChIKeyFJUWHXUMCJLAGB-CVEARBPZSA-N
XLogP2.81
TPSA123.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[(2S,5R)-2,5-dimethyl-4-(1,3-oxazol-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-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-(1,3-oxazol-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-[(2S,5R)-2,5-dimethyl-4-(1,3-oxazol-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide (CID 66738980) is N-[5-[(2S,5R)-2,5-dimethyl-4-(1,3-oxazol-4-ylmethyl)piperazine-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,5R)-2,5-dimethyl-4-(1,3-oxazol-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-[(2S,5R)-2,5-dimethyl-4-(1,3-oxazol-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide is C[C@@H]1CN(C(=O)N2Cc3c(NC(=O)c4ccccn4)n[nH]c3C2(C)C)[C@@H](C)CN1Cc1cocn1.
What is the InChIKey of N-[5-[(2S,5R)-2,5-dimethyl-4-(1,3-oxazol-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide?
The InChIKey is FJUWHXUMCJLAGB-CVEARBPZSA-N. The full InChI is InChI=1S/C24H30N8O3/c1-15-10-31(16(2)9-30(15)11-17-13-35-14-26-17)23(34)32-12-18-20(24(32,3)4)28-29-21(18)27-22(33)19-7-5-6-8-25-19/h5-8,13-16H,9-12H2,1-4H3,(H2,27,28,29,33)/t15-,16+/m1/s1.
What are the key properties of N-[5-[(2S,5R)-2,5-dimethyl-4-(1,3-oxazol-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide?
N-[5-[(2S,5R)-2,5-dimethyl-4-(1,3-oxazol-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide has a molecular weight of 478.56 g/mol, XLogP of 2.81, 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-(1,3-oxazol-4-ylmethyl)piperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 66738980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).