6-methyl-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide

C18H27N5O — CID 119529873

IUPAC6-methyl-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCCN(C(=O)c1cc(C)nc2c1cnn2C(C)C)C1CCNC1
InChIInChI=1S/C18H27N5O/c1-5-8-22(14-6-7-19-10-14)18(24)15-9-13(4)21-17-16(15)11-20-23(17)12(2)3/h9,11-12,14,19H,5-8,10H2,1-4H3
InChIKeyCDCAYJYGEBTDFZ-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.53
Rot. Bonds5

About 6-methyl-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide

6-methyl-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 119529873) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 6-methyl-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID119529873
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name6-methyl-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCCN(C(=O)c1cc(C)nc2c1cnn2C(C)C)C1CCNC1
InChIInChI=1S/C18H27N5O/c1-5-8-22(14-6-7-19-10-14)18(24)15-9-13(4)21-17-16(15)11-20-23(17)12(2)3/h9,11-12,14,19H,5-8,10H2,1-4H3
InChIKeyCDCAYJYGEBTDFZ-UHFFFAOYSA-N
XLogP2.53
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,6-dimethyl-N-piperidin-4-yl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119441231
2-[cyclopropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid
CID 120517676
6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119449551
6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119449550
6-methyl-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119555058
3,6-dimethyl-N-propyl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119531516
5-methyl-N-piperidin-4-yl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 119824619
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
3-[3-ethoxypropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 120520330
1-tert-butyl-3-methyl-6-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119531776
1-butan-2-yl-6-methyl-N-(piperidin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 119460822
4-chloro-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 63300921

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-methyl-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 119529873) is 6-methyl-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-methyl-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-methyl-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide is CCCN(C(=O)c1cc(C)nc2c1cnn2C(C)C)C1CCNC1.
What is the InChIKey of 6-methyl-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is CDCAYJYGEBTDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-5-8-22(14-6-7-19-10-14)18(24)15-9-13(4)21-17-16(15)11-20-23(17)12(2)3/h9,11-12,14,19H,5-8,10H2,1-4H3.
What are the key properties of 6-methyl-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
6-methyl-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119529873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).