N-[[3-(butanoylamino)phenyl]methyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H35N5O2 — CID 55782933

IUPACN-[[3-(butanoylamino)phenyl]methyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCC(=O)Nc1cccc(CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)c1
InChIInChI=1S/C26H35N5O2/c1-8-10-22(32)28-19-12-9-11-18(13-19)15-27-25(33)20-14-21(16(2)3)29-24-23(20)17(4)30-31(24)26(5,6)7/h9,11-14,16H,8,10,15H2,1-7H3,(H,27,33)(H,28,32)
InChIKeyURPORWFNOGETCH-UHFFFAOYSA-N
MW449.60 g/mol
LogP5.29
Rot. Bonds7

About N-[[3-(butanoylamino)phenyl]methyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[[3-(butanoylamino)phenyl]methyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55782933) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-[[3-(butanoylamino)phenyl]methyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(butanoylamino)phenyl]methyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55782933
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC NameN-[[3-(butanoylamino)phenyl]methyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCC(=O)Nc1cccc(CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)c1
InChIInChI=1S/C26H35N5O2/c1-8-10-22(32)28-19-12-9-11-18(13-19)15-27-25(33)20-14-21(16(2)3)29-24-23(20)17(4)30-31(24)26(5,6)7/h9,11-14,16H,8,10,15H2,1-7H3,(H,27,33)(H,28,32)
InChIKeyURPORWFNOGETCH-UHFFFAOYSA-N
XLogP5.29
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.60
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55801155
N-(2-amino-2-methylpropyl)-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119628648
methyl 5-[[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate
CID 55754659
1-tert-butyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55760805
1-tert-butyl-N-[2-(ethylamino)ethyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119507495
1-tert-butyl-N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55782732
6-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoic acid
CID 119352167
1-tert-butyl-N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55878029
1-tert-butyl-N-[3-[ethyl(methylsulfonyl)amino]propyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55956631
1-tert-butyl-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 109388394
N-benzyl-1-tert-butyl-N-(cyanomethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55864610
1-tert-butyl-3-methyl-6-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 78884878

Frequently Asked Questions

What is the IUPAC name of N-[[3-(butanoylamino)phenyl]methyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[[3-(butanoylamino)phenyl]methyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55782933) is N-[[3-(butanoylamino)phenyl]methyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[[3-(butanoylamino)phenyl]methyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[[3-(butanoylamino)phenyl]methyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCCC(=O)Nc1cccc(CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)c1.
What is the InChIKey of N-[[3-(butanoylamino)phenyl]methyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is URPORWFNOGETCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-8-10-22(32)28-19-12-9-11-18(13-19)15-27-25(33)20-14-21(16(2)3)29-24-23(20)17(4)30-31(24)26(5,6)7/h9,11-14,16H,8,10,15H2,1-7H3,(H,27,33)(H,28,32).
What are the key properties of N-[[3-(butanoylamino)phenyl]methyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[[3-(butanoylamino)phenyl]methyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(butanoylamino)phenyl]methyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55782933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).