[2-(aminomethyl)pyrrolidin-1-yl]-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride

C20H33Cl2N5O — CID 119633117

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
SMILESCc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCCC3CN)c12.Cl.Cl
InChIInChI=1S/C20H31N5O.2ClH/c1-12(2)16-10-15(19(26)24-9-7-8-14(24)11-21)17-13(3)23-25(18(17)22-16)20(4,5)6;;/h10,12,14H,7-9,11,21H2,1-6H3;2*1H
InChIKeyMMDPYOKMOOWURR-UHFFFAOYSA-N
MW430.42 g/mol
LogP4.03
Rot. Bonds3

About [2-(aminomethyl)pyrrolidin-1-yl]-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride

[2-(aminomethyl)pyrrolidin-1-yl]-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride (PubChem CID 119633117) has the molecular formula C20H33Cl2N5O and a molecular weight of 430.42 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
PubChem CID119633117
Molecular FormulaC20H33Cl2N5O
Molecular Weight430.42 g/mol
Exact Mass429.21
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
SMILESCc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCCC3CN)c12.Cl.Cl
InChIInChI=1S/C20H31N5O.2ClH/c1-12(2)16-10-15(19(26)24-9-7-8-14(24)11-21)17-13(3)23-25(18(17)22-16)20(4,5)6;;/h10,12,14H,7-9,11,21H2,1-6H3;2*1H
InChIKeyMMDPYOKMOOWURR-UHFFFAOYSA-N
XLogP4.03
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(aminomethyl)pyrrolidin-1-yl]-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride with MolForge

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Related Compounds

(3S)-1-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 120514222
[2-(aminomethyl)piperidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
CID 75513695
[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
(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
N-(2-amino-2-methylpropyl)-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119628648
N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119574445
N-[1-(aminomethyl)cyclopentyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119566977
(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
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-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 109388394
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
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 119649647

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride (CID 119633117) is [2-(aminomethyl)pyrrolidin-1-yl]-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride is Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCCC3CN)c12.Cl.Cl.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride?
The InChIKey is MMDPYOKMOOWURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O.2ClH/c1-12(2)16-10-15(19(26)24-9-7-8-14(24)11-21)17-13(3)23-25(18(17)22-16)20(4,5)6;;/h10,12,14H,7-9,11,21H2,1-6H3;2*1H.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride?
[2-(aminomethyl)pyrrolidin-1-yl]-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride has a molecular weight of 430.42 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119633117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).