[4-(aminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone

C17H25N5O — CID 119422908

IUPAC[4-(aminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC(CN)CC1
InChIInChI=1S/C17H25N5O/c1-11(2)22-16-14(10-19-22)8-15(12(3)20-16)17(23)21-6-4-13(9-18)5-7-21/h8,10-11,13H,4-7,9,18H2,1-3H3
InChIKeyNWRWJZUECGASJO-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.13
Rot. Bonds3

About [4-(aminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone

[4-(aminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone (PubChem CID 119422908) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
PubChem CID119422908
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC(CN)CC1
InChIInChI=1S/C17H25N5O/c1-11(2)22-16-14(10-19-22)8-15(12(3)20-16)17(23)21-6-4-13(9-18)5-7-21/h8,10-11,13H,4-7,9,18H2,1-3H3
InChIKeyNWRWJZUECGASJO-UHFFFAOYSA-N
XLogP2.13
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(aminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone with MolForge

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Related Compounds

(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
[4-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119559795
azepan-1-yl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 18131924
[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-phenylmethanone
CID 41310175
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 120807071
(3,4-dichlorophenyl)-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]methanone
CID 55956262
[3-(1-aminoethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119592769
[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55483658
N-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]benzamide
CID 33309444
[3-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119487602
(3-methylpiperazin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119576277

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone (CID 119422908) is [4-(aminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone is Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC(CN)CC1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
The InChIKey is NWRWJZUECGASJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-11(2)22-16-14(10-19-22)8-15(12(3)20-16)17(23)21-6-4-13(9-18)5-7-21/h8,10-11,13H,4-7,9,18H2,1-3H3.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
[4-(aminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone has a molecular weight of 315.42 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 119422908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).