N-[1-(1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide

C29H29N5O2 — CID 46446311

IUPACN-[1-(1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)CC1)C1CC1
InChIInChI=1S/C29H29N5O2/c35-28(22-11-12-22)31-23-13-15-33(16-14-23)29(36)24-17-26(21-9-5-2-6-10-21)32-27-25(24)18-30-34(27)19-20-7-3-1-4-8-20/h1-10,17-18,22-23H,11-16,19H2,(H,31,35)
InChIKeyXMVKMMDHHFKJHX-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.28
Rot. Bonds6

About N-[1-(1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide

N-[1-(1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 46446311) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[1-(1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
PubChem CID46446311
Molecular FormulaC29H29N5O2
Molecular Weight479.58 g/mol
Exact Mass479.23
IUPAC NameN-[1-(1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)CC1)C1CC1
InChIInChI=1S/C29H29N5O2/c35-28(22-11-12-22)31-23-13-15-33(16-14-23)29(36)24-17-26(21-9-5-2-6-10-21)32-27-25(24)18-30-34(27)19-20-7-3-1-4-8-20/h1-10,17-18,22-23H,11-16,19H2,(H,31,35)
InChIKeyXMVKMMDHHFKJHX-UHFFFAOYSA-N
XLogP4.28
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560360
N'-(cyclopropanecarbonyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 26586837
N-[[1-[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methyl]acetamide
CID 55780936
[1-(cyclopropylamino)-1-oxopropan-2-yl] 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46698171
[6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 146125217
1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 113220360
[1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26020581
(4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119373427
[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 167909704
[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 24575624
[6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-thiomorpholin-4-ylmethanone
CID 167806643
tert-butyl N-[1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 55736757

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide (CID 46446311) is N-[1-(1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide is O=C(NC1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccccc2)CC1)C1CC1.
What is the InChIKey of N-[1-(1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is XMVKMMDHHFKJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2/c35-28(22-11-12-22)31-23-13-15-33(16-14-23)29(36)24-17-26(21-9-5-2-6-10-21)32-27-25(24)18-30-34(27)19-20-7-3-1-4-8-20/h1-10,17-18,22-23H,11-16,19H2,(H,31,35).
What are the key properties of N-[1-(1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide?
N-[1-(1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 479.58 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 46446311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).