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

C17H25N5O — CID 120807071

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC(C)(CN)C1
InChIInChI=1S/C17H25N5O/c1-11(2)22-15-13(8-19-22)7-14(12(3)20-15)16(23)21-6-5-17(4,9-18)10-21/h7-8,11H,5-6,9-10,18H2,1-4H3
InChIKeyHGWBBTGAIPOQGC-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.13
Rot. Bonds3

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

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone (PubChem CID 120807071) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
PubChem CID120807071
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC(C)(CN)C1
InChIInChI=1S/C17H25N5O/c1-11(2)22-15-13(8-19-22)7-14(12(3)20-15)16(23)21-6-5-17(4,9-18)10-21/h7-8,11H,5-6,9-10,18H2,1-4H3
InChIKeyHGWBBTGAIPOQGC-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

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Related Compounds

[4-(aminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 119422908
azepan-1-yl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 18131924
[2-(2-methoxyethyl)-2-methylmorpholin-4-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 167767207
(3-methylpiperazin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119576277
[3-(1-aminoethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119592769
[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
[3-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119487602
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 56821394
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone
CID 120803983
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride
CID 120808906

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone (CID 120807071) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone is Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC(C)(CN)C1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
The InChIKey is HGWBBTGAIPOQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-11(2)22-15-13(8-19-22)7-14(12(3)20-15)16(23)21-6-5-17(4,9-18)10-21/h7-8,11H,5-6,9-10,18H2,1-4H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
[3-(aminomethyl)-3-methylpyrrolidin-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 [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 120807071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).