N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide

C20H26N6O2 — CID 54585859

IUPACN-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide
SMILESCN1CCC(C(=O)N2Cc3c(NC(=O)c4ccncc4)n[nH]c3C2(C)C)CC1
InChIInChI=1S/C20H26N6O2/c1-20(2)16-15(12-26(20)19(28)14-6-10-25(3)11-7-14)17(24-23-16)22-18(27)13-4-8-21-9-5-13/h4-5,8-9,14H,6-7,10-12H2,1-3H3,(H2,22,23,24,27)
InChIKeyGQDHKYZSKSDSNQ-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.98
Rot. Bonds3

About N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide

N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide (PubChem CID 54585859) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide
PubChem CID54585859
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC NameN-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide
SMILESCN1CCC(C(=O)N2Cc3c(NC(=O)c4ccncc4)n[nH]c3C2(C)C)CC1
InChIInChI=1S/C20H26N6O2/c1-20(2)16-15(12-26(20)19(28)14-6-10-25(3)11-7-14)17(24-23-16)22-18(27)13-4-8-21-9-5-13/h4-5,8-9,14H,6-7,10-12H2,1-3H3,(H2,22,23,24,27)
InChIKeyGQDHKYZSKSDSNQ-UHFFFAOYSA-N
XLogP1.98
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide (CID 54585859) is N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide is CN1CCC(C(=O)N2Cc3c(NC(=O)c4ccncc4)n[nH]c3C2(C)C)CC1.
What is the InChIKey of N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide?
The InChIKey is GQDHKYZSKSDSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-20(2)16-15(12-26(20)19(28)14-6-10-25(3)11-7-14)17(24-23-16)22-18(27)13-4-8-21-9-5-13/h4-5,8-9,14H,6-7,10-12H2,1-3H3,(H2,22,23,24,27).
What are the key properties of N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide?
N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 54585859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).