N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

C21H35Cl2N5O2 — CID 120890042

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)CCNCC1.Cl.Cl
InChIInChI=1S/C21H33N5O2.2ClH/c1-14(2)18-10-16(17-11-24-26(15(3)4)19(17)25-18)20(27)23-12-21(13-28-5)6-8-22-9-7-21;;/h10-11,14-15,22H,6-9,12-13H2,1-5H3,(H,23,27);2*1H
InChIKeyWQJICWYDZXZYKX-UHFFFAOYSA-N
MW460.45 g/mol
LogP3.73
Rot. Bonds7

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 120890042) has the molecular formula C21H35Cl2N5O2 and a molecular weight of 460.45 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
PubChem CID120890042
Molecular FormulaC21H35Cl2N5O2
Molecular Weight460.45 g/mol
Exact Mass459.22
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)CCNCC1.Cl.Cl
InChIInChI=1S/C21H33N5O2.2ClH/c1-14(2)18-10-16(17-11-24-26(15(3)4)19(17)25-18)20(27)23-12-21(13-28-5)6-8-22-9-7-21;;/h10-11,14-15,22H,6-9,12-13H2,1-5H3,(H,23,27);2*1H
InChIKeyWQJICWYDZXZYKX-UHFFFAOYSA-N
XLogP3.73
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 120890043
N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27648180
N-(2-acetamidoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30597441
N-[2-(methylamino)ethyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166635665
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 120888556
N-pentyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24512488
N-(2-ethyl-2-hydroxybutyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 111463491
1,6-di(propan-2-yl)-N-(3-propan-2-yloxypropyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 32982457
5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 120890805
N-[[(1S,3R)-1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 99788790
N-[(1-hydroxycyclopentyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 111333170
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
CID 120892003

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (CID 120890042) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is COCC1(CNC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)CCNCC1.Cl.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is WQJICWYDZXZYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2.2ClH/c1-14(2)18-10-16(17-11-24-26(15(3)4)19(17)25-18)20(27)23-12-21(13-28-5)6-8-22-9-7-21;;/h10-11,14-15,22H,6-9,12-13H2,1-5H3,(H,23,27);2*1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 460.45 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120890042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).