N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C24H31N5O — CID 46579624

IUPACN-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC1CCN(Cc2ccc(CNC(=O)c3cnc4c(cnn4C(C)C)c3)cc2)CC1
InChIInChI=1S/C24H31N5O/c1-17(2)29-23-21(15-27-29)12-22(14-25-23)24(30)26-13-19-4-6-20(7-5-19)16-28-10-8-18(3)9-11-28/h4-7,12,14-15,17-18H,8-11,13,16H2,1-3H3,(H,26,30)
InChIKeyRLMUXYDADJHWPG-UHFFFAOYSA-N
MW405.55 g/mol
LogP4.17
Rot. Bonds6

About N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 46579624) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID46579624
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC NameN-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC1CCN(Cc2ccc(CNC(=O)c3cnc4c(cnn4C(C)C)c3)cc2)CC1
InChIInChI=1S/C24H31N5O/c1-17(2)29-23-21(15-27-29)12-22(14-25-23)24(30)26-13-19-4-6-20(7-5-19)16-28-10-8-18(3)9-11-28/h4-7,12,14-15,17-18H,8-11,13,16H2,1-3H3,(H,26,30)
InChIKeyRLMUXYDADJHWPG-UHFFFAOYSA-N
XLogP4.17
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55729815
N-[(4-nitrophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 47063560
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 56552201
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
N-[(4-ethoxyphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 53283400
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
CID 39997651
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55728028
3-methoxy-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55774774
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 120944386
N-[[2-(difluoromethoxy)phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41369321
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 51948677
N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92680753

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 46579624) is N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CC1CCN(Cc2ccc(CNC(=O)c3cnc4c(cnn4C(C)C)c3)cc2)CC1.
What is the InChIKey of N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is RLMUXYDADJHWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-17(2)29-23-21(15-27-29)12-22(14-25-23)24(30)26-13-19-4-6-20(7-5-19)16-28-10-8-18(3)9-11-28/h4-7,12,14-15,17-18H,8-11,13,16H2,1-3H3,(H,26,30).
What are the key properties of N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 405.55 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 46579624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).