N-[1-(aminomethyl)cyclopentyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

C21H35Cl2N5O — CID 119566977

IUPACN-[1-(aminomethyl)cyclopentyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NC3(CN)CCCC3)c12.Cl.Cl
InChIInChI=1S/C21H33N5O.2ClH/c1-13(2)16-11-15(19(27)24-21(12-22)9-7-8-10-21)17-14(3)25-26(18(17)23-16)20(4,5)6;;/h11,13H,7-10,12,22H2,1-6H3,(H,24,27);2*1H
InChIKeyQLOUKVPTHDNFDN-UHFFFAOYSA-N
MW444.45 g/mol
LogP4.46
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

N-[1-(aminomethyl)cyclopentyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 119566977) has the molecular formula C21H35Cl2N5O and a molecular weight of 444.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
PubChem CID119566977
Molecular FormulaC21H35Cl2N5O
Molecular Weight444.45 g/mol
Exact Mass443.22
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NC3(CN)CCCC3)c12.Cl.Cl
InChIInChI=1S/C21H33N5O.2ClH/c1-13(2)16-11-15(19(27)24-21(12-22)9-7-8-10-21)17-14(3)25-26(18(17)23-16)20(4,5)6;;/h11,13H,7-10,12,22H2,1-6H3,(H,24,27);2*1H
InChIKeyQLOUKVPTHDNFDN-UHFFFAOYSA-N
XLogP4.46
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
[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
1-tert-butyl-N-[2-(ethylamino)ethyl]-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119507495
(2R)-2-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119368591
[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-tert-butyl-3-methyl-6-propan-2-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55852166
1-tert-butyl-3-methyl-6-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 78884878
6-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoic acid
CID 119352167
1-tert-butyl-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60516251
1-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 75402967
1-tert-butyl-3-methyl-6-propan-2-yl-N-quinolin-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55756234

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (CID 119566977) is N-[1-(aminomethyl)cyclopentyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NC3(CN)CCCC3)c12.Cl.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is QLOUKVPTHDNFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O.2ClH/c1-13(2)16-11-15(19(27)24-21(12-22)9-7-8-10-21)17-14(3)25-26(18(17)23-16)20(4,5)6;;/h11,13H,7-10,12,22H2,1-6H3,(H,24,27);2*1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
N-[1-(aminomethyl)cyclopentyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 444.45 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119566977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).