1-tert-butyl-3-methyl-6-propan-2-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C24H32N6O — CID 55852166

IUPAC1-tert-butyl-3-methyl-6-propan-2-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc(N4CCCC4)cn3)c12
InChIInChI=1S/C24H32N6O/c1-15(2)19-13-18(21-16(3)28-30(22(21)26-19)24(4,5)6)23(31)27-20-10-9-17(14-25-20)29-11-7-8-12-29/h9-10,13-15H,7-8,11-12H2,1-6H3,(H,25,27,31)
InChIKeyLPCSZSVYZJUIHB-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.87
Rot. Bonds4

About 1-tert-butyl-3-methyl-6-propan-2-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide

1-tert-butyl-3-methyl-6-propan-2-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55852166) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-6-propan-2-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-3-methyl-6-propan-2-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55852166
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC Name1-tert-butyl-3-methyl-6-propan-2-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc(N4CCCC4)cn3)c12
InChIInChI=1S/C24H32N6O/c1-15(2)19-13-18(21-16(3)28-30(22(21)26-19)24(4,5)6)23(31)27-20-10-9-17(14-25-20)29-11-7-8-12-29/h9-10,13-15H,7-8,11-12H2,1-6H3,(H,25,27,31)
InChIKeyLPCSZSVYZJUIHB-UHFFFAOYSA-N
XLogP4.87
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methyl-6-propan-2-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-tert-butyl-3-methyl-6-propan-2-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55852166) is 1-tert-butyl-3-methyl-6-propan-2-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-3-methyl-6-propan-2-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-tert-butyl-3-methyl-6-propan-2-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc(N4CCCC4)cn3)c12.
What is the InChIKey of 1-tert-butyl-3-methyl-6-propan-2-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LPCSZSVYZJUIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-15(2)19-13-18(21-16(3)28-30(22(21)26-19)24(4,5)6)23(31)27-20-10-9-17(14-25-20)29-11-7-8-12-29/h9-10,13-15H,7-8,11-12H2,1-6H3,(H,25,27,31).
What are the key properties of 1-tert-butyl-3-methyl-6-propan-2-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
1-tert-butyl-3-methyl-6-propan-2-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methyl-6-propan-2-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55852166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).