(4-amino-3,3-dimethylpiperidin-1-yl)-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone

C22H35N5O — CID 120815505

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
SMILESCc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCC(N)C(C)(C)C3)c12
InChIInChI=1S/C22H35N5O/c1-13(2)16-11-15(20(28)26-10-9-17(23)22(7,8)12-26)18-14(3)25-27(19(18)24-16)21(4,5)6/h11,13,17H,9-10,12,23H2,1-8H3
InChIKeyIKSXMQNIVCMVEO-UHFFFAOYSA-N
MW385.56 g/mol
LogP3.82
Rot. Bonds2

About (4-amino-3,3-dimethylpiperidin-1-yl)-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone (PubChem CID 120815505) has the molecular formula C22H35N5O and a molecular weight of 385.56 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
PubChem CID120815505
Molecular FormulaC22H35N5O
Molecular Weight385.56 g/mol
Exact Mass385.28
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
SMILESCc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCC(N)C(C)(C)C3)c12
InChIInChI=1S/C22H35N5O/c1-13(2)16-11-15(20(28)26-10-9-17(23)22(7,8)12-26)18-14(3)25-27(19(18)24-16)21(4,5)6/h11,13,17H,9-10,12,23H2,1-8H3
InChIKeyIKSXMQNIVCMVEO-UHFFFAOYSA-N
XLogP3.82
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 120805300
(3S)-1-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 120514222
(3S,4S)-1-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120952357
[2-(aminomethyl)pyrrolidin-1-yl]-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119633117
1-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55973835
(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperazin-1-yl)methanone
CID 119472124
1-(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 126782752
N-(2-amino-2-methylpropyl)-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119628648
(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 55754944
1-tert-butyl-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 109388394
N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119574445
4-[4-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,4-diazepan-1-yl]benzonitrile
CID 55840032

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone (CID 120815505) is (4-amino-3,3-dimethylpiperidin-1-yl)-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone is Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCC(N)C(C)(C)C3)c12.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The InChIKey is IKSXMQNIVCMVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O/c1-13(2)16-11-15(20(28)26-10-9-17(23)22(7,8)12-26)18-14(3)25-27(19(18)24-16)21(4,5)6/h11,13,17H,9-10,12,23H2,1-8H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone has a molecular weight of 385.56 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 120815505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).