N-[3-(3-methylpiperidin-1-yl)propyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C22H35N5O — CID 55717877

IUPACN-[3-(3-methylpiperidin-1-yl)propyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC1CCCN(CCCNC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)C1
InChIInChI=1S/C22H35N5O/c1-15(2)20-12-18(19-13-24-27(16(3)4)21(19)25-20)22(28)23-9-7-11-26-10-6-8-17(5)14-26/h12-13,15-17H,6-11,14H2,1-5H3,(H,23,28)
InChIKeyINQIFTOWTYHCNJ-UHFFFAOYSA-N
MW385.56 g/mol
LogP3.99
Rot. Bonds7

About N-[3-(3-methylpiperidin-1-yl)propyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-[3-(3-methylpiperidin-1-yl)propyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55717877) has the molecular formula C22H35N5O and a molecular weight of 385.56 g/mol. Its IUPAC name is N-[3-(3-methylpiperidin-1-yl)propyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methylpiperidin-1-yl)propyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55717877
Molecular FormulaC22H35N5O
Molecular Weight385.56 g/mol
Exact Mass385.28
IUPAC NameN-[3-(3-methylpiperidin-1-yl)propyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC1CCCN(CCCNC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)C1
InChIInChI=1S/C22H35N5O/c1-15(2)20-12-18(19-13-24-27(16(3)4)21(19)25-20)22(28)23-9-7-11-26-10-6-8-17(5)14-26/h12-13,15-17H,6-11,14H2,1-5H3,(H,23,28)
InChIKeyINQIFTOWTYHCNJ-UHFFFAOYSA-N
XLogP3.99
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24512488
N-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30597441
N-[2-(methylamino)ethyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166635665
1,6-di(propan-2-yl)-N-(3-propan-2-yloxypropyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 32982457
N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27648180
N-(1-methylsulfonylpiperidin-4-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 39999731
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 56552201
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55728028
N-(2-ethyl-2-hydroxybutyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 111463491
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone
CID 52529673
2-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55429159
(2R)-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 124682042

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55717877) is N-[3-(3-methylpiperidin-1-yl)propyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(3-methylpiperidin-1-yl)propyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(3-methylpiperidin-1-yl)propyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is CC1CCCN(CCCNC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)C1.
What is the InChIKey of N-[3-(3-methylpiperidin-1-yl)propyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is INQIFTOWTYHCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O/c1-15(2)20-12-18(19-13-24-27(16(3)4)21(19)25-20)22(28)23-9-7-11-26-10-6-8-17(5)14-26/h12-13,15-17H,6-11,14H2,1-5H3,(H,23,28).
What are the key properties of N-[3-(3-methylpiperidin-1-yl)propyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-[3-(3-methylpiperidin-1-yl)propyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 385.56 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpiperidin-1-yl)propyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55717877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).