1-tert-butyl-3-methyl-6-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H35N5O — CID 119531776

IUPAC1-tert-butyl-3-methyl-6-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCN(C(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C)C1CCNC1
InChIInChI=1S/C22H35N5O/c1-8-11-26(16-9-10-23-13-16)21(28)17-12-18(14(2)3)24-20-19(17)15(4)25-27(20)22(5,6)7/h12,14,16,23H,8-11,13H2,1-7H3
InChIKeyYAPATIKXIOYGML-UHFFFAOYSA-N
MW385.56 g/mol
LogP3.83
Rot. Bonds5

About 1-tert-butyl-3-methyl-6-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1-tert-butyl-3-methyl-6-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 119531776) has the molecular formula C22H35N5O and a molecular weight of 385.56 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-6-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-3-methyl-6-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID119531776
Molecular FormulaC22H35N5O
Molecular Weight385.56 g/mol
Exact Mass385.28
IUPAC Name1-tert-butyl-3-methyl-6-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCN(C(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C)C1CCNC1
InChIInChI=1S/C22H35N5O/c1-8-11-26(16-9-10-23-13-16)21(28)17-12-18(14(2)3)24-20-19(17)15(4)25-27(20)22(5,6)7/h12,14,16,23H,8-11,13H2,1-7H3
InChIKeyYAPATIKXIOYGML-UHFFFAOYSA-N
XLogP3.83
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-3-methyl-6-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 119536214
1-tert-butyl-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 109388394
N-(2-amino-2-methylpropyl)-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119628648
3,6-dimethyl-N-propyl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119531516
6-methyl-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119529873
1-tert-butyl-N-[2-(ethylamino)ethyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119507495
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
N-methyl-2,4-dioxo-7-propan-2-yl-1-propyl-N-pyrrolidin-3-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119553350
N-benzyl-1-tert-butyl-N-(cyanomethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55864610
N,3-dimethyl-6-propan-2-yl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119551327
6-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoic acid
CID 119352167
2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 81112056

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methyl-6-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-tert-butyl-3-methyl-6-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 119531776) is 1-tert-butyl-3-methyl-6-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-3-methyl-6-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-tert-butyl-3-methyl-6-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCCN(C(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C)C1CCNC1.
What is the InChIKey of 1-tert-butyl-3-methyl-6-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is YAPATIKXIOYGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O/c1-8-11-26(16-9-10-23-13-16)21(28)17-12-18(14(2)3)24-20-19(17)15(4)25-27(20)22(5,6)7/h12,14,16,23H,8-11,13H2,1-7H3.
What are the key properties of 1-tert-butyl-3-methyl-6-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-tert-butyl-3-methyl-6-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 385.56 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methyl-6-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119531776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).