1-tert-butyl-6-cyclopropyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H31N5O3 — CID 55818593

IUPAC1-tert-butyl-6-cyclopropyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)c12
InChIInChI=1S/C25H31N5O3/c1-15-21-19(13-20(16-5-6-16)27-22(21)30(28-15)25(2,3)4)23(31)26-18-7-10-29(11-8-18)24(32)17-9-12-33-14-17/h9,12-14,16,18H,5-8,10-11H2,1-4H3,(H,26,31)
InChIKeyMNHMSWAKQJLWPZ-UHFFFAOYSA-N
MW449.56 g/mol
LogP4.00
Rot. Bonds4

About 1-tert-butyl-6-cyclopropyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

1-tert-butyl-6-cyclopropyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55818593) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 1-tert-butyl-6-cyclopropyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-6-cyclopropyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55818593
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name1-tert-butyl-6-cyclopropyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)c12
InChIInChI=1S/C25H31N5O3/c1-15-21-19(13-20(16-5-6-16)27-22(21)30(28-15)25(2,3)4)23(31)26-18-7-10-29(11-8-18)24(32)17-9-12-33-14-17/h9,12-14,16,18H,5-8,10-11H2,1-4H3,(H,26,31)
InChIKeyMNHMSWAKQJLWPZ-UHFFFAOYSA-N
XLogP4.00
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-6-cyclopropyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

N-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119478999
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55761781
1-tert-butyl-6-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55949801
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119459503
[4-(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 55760504
1-tert-butyl-6-cyclopropyl-3-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 94241436
(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78884160
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 38199441
1-tert-butyl-N-(5-chloro-2-methylphenyl)-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55756167
1-tert-butyl-6-cyclopropyl-3-methyl-N-(3-methylpiperidin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 120553732
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
1-[4-(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 55915693

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-cyclopropyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-tert-butyl-6-cyclopropyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55818593) is 1-tert-butyl-6-cyclopropyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-6-cyclopropyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-tert-butyl-6-cyclopropyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)c12.
What is the InChIKey of 1-tert-butyl-6-cyclopropyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MNHMSWAKQJLWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-15-21-19(13-20(16-5-6-16)27-22(21)30(28-15)25(2,3)4)23(31)26-18-7-10-29(11-8-18)24(32)17-9-12-33-14-17/h9,12-14,16,18H,5-8,10-11H2,1-4H3,(H,26,31).
What are the key properties of 1-tert-butyl-6-cyclopropyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-tert-butyl-6-cyclopropyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-cyclopropyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55818593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).