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

C24H30F2N4O3 — CID 55760805

IUPAC1-tert-butyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc1OC(F)F
InChIInChI=1S/C24H30F2N4O3/c1-13(2)17-11-16(20-14(3)29-30(21(20)28-17)24(4,5)6)22(31)27-12-15-8-9-18(32-7)19(10-15)33-23(25)26/h8-11,13,23H,12H2,1-7H3,(H,27,31)
InChIKeyVXERPRPYINHZLS-UHFFFAOYSA-N
MW460.53 g/mol
LogP5.16
Rot. Bonds7

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

1-tert-butyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55760805) has the molecular formula C24H30F2N4O3 and a molecular weight of 460.53 g/mol. Its IUPAC name is 1-tert-butyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55760805
Molecular FormulaC24H30F2N4O3
Molecular Weight460.53 g/mol
Exact Mass460.23
IUPAC Name1-tert-butyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc1OC(F)F
InChIInChI=1S/C24H30F2N4O3/c1-13(2)17-11-16(20-14(3)29-30(21(20)28-17)24(4,5)6)22(31)27-12-15-8-9-18(32-7)19(10-15)33-23(25)26/h8-11,13,23H,12H2,1-7H3,(H,27,31)
InChIKeyVXERPRPYINHZLS-UHFFFAOYSA-N
XLogP5.16
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2-methoxyethoxy)phenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55801155
N-[[3-(butanoylamino)phenyl]methyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55782933
methyl 5-[[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]-2-methoxybenzoate
CID 55755035
6-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoic acid
CID 119352167
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87025083
(2R)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119368591
(2S)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119359811
1-tert-butyl-N-[2-(difluoromethylsulfonyl)phenyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55760550
1-tert-butyl-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 109388394
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-iodo-3-methylbenzamide
CID 55691012

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55760805) is 1-tert-butyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)cc1OC(F)F.
What is the InChIKey of 1-tert-butyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VXERPRPYINHZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N4O3/c1-13(2)17-11-16(20-14(3)29-30(21(20)28-17)24(4,5)6)22(31)27-12-15-8-9-18(32-7)19(10-15)33-23(25)26/h8-11,13,23H,12H2,1-7H3,(H,27,31).
What are the key properties of 1-tert-butyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-tert-butyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55760805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).