1-tert-butyl-6-(1,2-dimethyl-6-morpholin-4-ylpiperidin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C31H45N7O3 — CID 123497001

IUPAC1-tert-butyl-6-(1,2-dimethyl-6-morpholin-4-ylpiperidin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(C3CCC(N4CCOCC4)N(C)C3C)nc3c2c(C)nn3C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C31H45N7O3/c1-18-15-19(2)33-30(40)24(18)17-32-29(39)23-16-25(34-28-27(23)20(3)35-38(28)31(5,6)7)22-9-10-26(36(8)21(22)4)37-11-13-41-14-12-37/h15-16,21-22,26H,9-14,17H2,1-8H3,(H,32,39)(H,33,40)
InChIKeyVHNRZHQSHAGTKX-UHFFFAOYSA-N
MW563.75 g/mol
LogP3.59
Rot. Bonds5

About 1-tert-butyl-6-(1,2-dimethyl-6-morpholin-4-ylpiperidin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

1-tert-butyl-6-(1,2-dimethyl-6-morpholin-4-ylpiperidin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 123497001) has the molecular formula C31H45N7O3 and a molecular weight of 563.75 g/mol. Its IUPAC name is 1-tert-butyl-6-(1,2-dimethyl-6-morpholin-4-ylpiperidin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-6-(1,2-dimethyl-6-morpholin-4-ylpiperidin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID123497001
Molecular FormulaC31H45N7O3
Molecular Weight563.75 g/mol
Exact Mass563.36
IUPAC Name1-tert-butyl-6-(1,2-dimethyl-6-morpholin-4-ylpiperidin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(C3CCC(N4CCOCC4)N(C)C3C)nc3c2c(C)nn3C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C31H45N7O3/c1-18-15-19(2)33-30(40)24(18)17-32-29(39)23-16-25(34-28-27(23)20(3)35-38(28)31(5,6)7)22-9-10-26(36(8)21(22)4)37-11-13-41-14-12-37/h15-16,21-22,26H,9-14,17H2,1-8H3,(H,32,39)(H,33,40)
InChIKeyVHNRZHQSHAGTKX-UHFFFAOYSA-N
XLogP3.59
TPSA108.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.75
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-(1,2-dimethyl-6-morpholin-4-ylpiperidin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-tert-butyl-6-(1,2-dimethyl-6-morpholin-4-ylpiperidin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 123497001) is 1-tert-butyl-6-(1,2-dimethyl-6-morpholin-4-ylpiperidin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-6-(1,2-dimethyl-6-morpholin-4-ylpiperidin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-tert-butyl-6-(1,2-dimethyl-6-morpholin-4-ylpiperidin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(C3CCC(N4CCOCC4)N(C)C3C)nc3c2c(C)nn3C(C)(C)C)c(=O)[nH]1.
What is the InChIKey of 1-tert-butyl-6-(1,2-dimethyl-6-morpholin-4-ylpiperidin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VHNRZHQSHAGTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45N7O3/c1-18-15-19(2)33-30(40)24(18)17-32-29(39)23-16-25(34-28-27(23)20(3)35-38(28)31(5,6)7)22-9-10-26(36(8)21(22)4)37-11-13-41-14-12-37/h15-16,21-22,26H,9-14,17H2,1-8H3,(H,32,39)(H,33,40).
What are the key properties of 1-tert-butyl-6-(1,2-dimethyl-6-morpholin-4-ylpiperidin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-tert-butyl-6-(1,2-dimethyl-6-morpholin-4-ylpiperidin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 563.75 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-(1,2-dimethyl-6-morpholin-4-ylpiperidin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 123497001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).