N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C24H22F2N4O2 — CID 16581720

IUPACN-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)NC(c3ccccc3)c3ccc(OC(F)F)cc3)cnc21
InChIInChI=1S/C24H22F2N4O2/c1-15(2)30-22-18(14-28-30)12-19(13-27-22)23(31)29-21(16-6-4-3-5-7-16)17-8-10-20(11-9-17)32-24(25)26/h3-15,21,24H,1-2H3,(H,29,31)
InChIKeyMADVXCUNFLESQC-UHFFFAOYSA-N
MW436.46 g/mol
LogP5.13
Rot. Bonds7

About N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 16581720) has the molecular formula C24H22F2N4O2 and a molecular weight of 436.46 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID16581720
Molecular FormulaC24H22F2N4O2
Molecular Weight436.46 g/mol
Exact Mass436.17
IUPAC NameN-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)NC(c3ccccc3)c3ccc(OC(F)F)cc3)cnc21
InChIInChI=1S/C24H22F2N4O2/c1-15(2)30-22-18(14-28-30)12-19(13-27-22)23(31)29-21(16-6-4-3-5-7-16)17-8-10-20(11-9-17)32-24(25)26/h3-15,21,24H,1-2H3,(H,29,31)
InChIKeyMADVXCUNFLESQC-UHFFFAOYSA-N
XLogP5.13
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.46
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 18151097
N-[[2-(difluoromethoxy)phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41369321
3-chloro-N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]benzamide
CID 25440599
N-(2-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24583509
N-[1-(furan-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 18132141
N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581530
N-[cyclopropyl-(4-methylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 42929689
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 51296666
5-phenyl-4-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 120547250
N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 46523701
4-(difluoromethoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 25324448
N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide
CID 18166420

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 16581720) is N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)n1ncc2cc(C(=O)NC(c3ccccc3)c3ccc(OC(F)F)cc3)cnc21.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is MADVXCUNFLESQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O2/c1-15(2)30-22-18(14-28-30)12-19(13-27-22)23(31)29-21(16-6-4-3-5-7-16)17-8-10-20(11-9-17)32-24(25)26/h3-15,21,24H,1-2H3,(H,29,31).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 436.46 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 16581720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).