2,6-dimethyl-3-[[[1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-1H-pyridin-4-one

C27H38N6O — CID 130207434

IUPAC2,6-dimethyl-3-[[[1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(CNCc2cc(C3=CC(C)(C)NC(C)(C)C3)nc3c2cnn3C(C)C)c(C)[nH]1
InChIInChI=1S/C27H38N6O/c1-16(2)33-25-22(15-29-33)19(13-28-14-21-18(4)30-17(3)9-24(21)34)10-23(31-25)20-11-26(5,6)32-27(7,8)12-20/h9-11,15-16,28,32H,12-14H2,1-8H3,(H,30,34)
InChIKeyPFQRIPCVLWBWLE-UHFFFAOYSA-N
MW462.64 g/mol
LogP4.54
Rot. Bonds6

About 2,6-dimethyl-3-[[[1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-1H-pyridin-4-one

2,6-dimethyl-3-[[[1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-1H-pyridin-4-one (PubChem CID 130207434) has the molecular formula C27H38N6O and a molecular weight of 462.64 g/mol. Its IUPAC name is 2,6-dimethyl-3-[[[1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-[[[1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-1H-pyridin-4-one
PubChem CID130207434
Molecular FormulaC27H38N6O
Molecular Weight462.64 g/mol
Exact Mass462.31
IUPAC Name2,6-dimethyl-3-[[[1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(CNCc2cc(C3=CC(C)(C)NC(C)(C)C3)nc3c2cnn3C(C)C)c(C)[nH]1
InChIInChI=1S/C27H38N6O/c1-16(2)33-25-22(15-29-33)19(13-28-14-21-18(4)30-17(3)9-24(21)34)10-23(31-25)20-11-26(5,6)32-27(7,8)12-20/h9-11,15-16,28,32H,12-14H2,1-8H3,(H,30,34)
InChIKeyPFQRIPCVLWBWLE-UHFFFAOYSA-N
XLogP4.54
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2,6-dimethyl-3-[[[1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-1H-pyridin-4-one with MolForge

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Related Compounds

3-[[[6-(dimethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 134335489
N-[[4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridin-3-yl]methyl]-1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 138404013
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(2,6,6-trimethyl-2,5-dihydro-1H-pyridin-4-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 130460274
6-chloro-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 121322634
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2,4-dioxo-1H-pyrimidin-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56598144
6-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56597425
3-[[[[6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-hydroxymethyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 129083280
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 158656343
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(1-piperidin-4-yl-3,6-dihydro-2H-pyridin-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86703436
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(prop-2-enylamino)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 56597559
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N-(2-methylprop-2-enyl)-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
CID 123974095
2-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetic acid
CID 16776065

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[[[1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-1H-pyridin-4-one?
The IUPAC name of 2,6-dimethyl-3-[[[1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-1H-pyridin-4-one (CID 130207434) is 2,6-dimethyl-3-[[[1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-1H-pyridin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-[[[1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-1H-pyridin-4-one?
The canonical SMILES for 2,6-dimethyl-3-[[[1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-1H-pyridin-4-one is Cc1cc(=O)c(CNCc2cc(C3=CC(C)(C)NC(C)(C)C3)nc3c2cnn3C(C)C)c(C)[nH]1.
What is the InChIKey of 2,6-dimethyl-3-[[[1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-1H-pyridin-4-one?
The InChIKey is PFQRIPCVLWBWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O/c1-16(2)33-25-22(15-29-33)19(13-28-14-21-18(4)30-17(3)9-24(21)34)10-23(31-25)20-11-26(5,6)32-27(7,8)12-20/h9-11,15-16,28,32H,12-14H2,1-8H3,(H,30,34).
What are the key properties of 2,6-dimethyl-3-[[[1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-1H-pyridin-4-one?
2,6-dimethyl-3-[[[1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-1H-pyridin-4-one has a molecular weight of 462.64 g/mol, XLogP of 4.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[[[1-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-1H-pyridin-4-one is sourced from PubChem (CID 130207434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).