N-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]benzamide

C23H27N5O2 — CID 33309444

IUPACN-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]benzamide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C23H27N5O2/c1-15(2)28-21-18(14-24-28)13-20(16(3)25-21)23(30)27-11-9-19(10-12-27)26-22(29)17-7-5-4-6-8-17/h4-8,13-15,19H,9-12H2,1-3H3,(H,26,29)
InChIKeySKYOGJKBKBVFRT-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.36
Rot. Bonds4

About N-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]benzamide

N-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]benzamide (PubChem CID 33309444) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]benzamide
PubChem CID33309444
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]benzamide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C23H27N5O2/c1-15(2)28-21-18(14-24-28)13-20(16(3)25-21)23(30)27-11-9-19(10-12-27)26-22(29)17-7-5-4-6-8-17/h4-8,13-15,19H,9-12H2,1-3H3,(H,26,29)
InChIKeySKYOGJKBKBVFRT-UHFFFAOYSA-N
XLogP3.36
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-phenylmethanone
CID 41310175
[4-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119559795
(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 136557477
(4-methoxypiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 56810635
N-[1-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]benzamide
CID 43040476
azepan-1-yl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 18131924
[4-(aminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 119422908
(3,4-dichlorophenyl)-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]methanone
CID 55956262
N-[1-(6-methoxy-2-methylquinoline-3-carbonyl)piperidin-4-yl]benzamide
CID 34424258
[3-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119487602
[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55483658
N-benzyl-2-[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide
CID 30458644

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of N-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]benzamide (CID 33309444) is N-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]benzamide is Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC(NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is SKYOGJKBKBVFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-15(2)28-21-18(14-24-28)13-20(16(3)25-21)23(30)27-11-9-19(10-12-27)26-22(29)17-7-5-4-6-8-17/h4-8,13-15,19H,9-12H2,1-3H3,(H,26,29).
What are the key properties of N-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]benzamide?
N-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 405.50 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 33309444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).