N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide

C24H32N8O2 — CID 126683869

IUPACN-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
SMILESC[C@@H]1C[C@@H]1COc1nc(C(=O)NC(C)(C)C)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1
InChIInChI=1S/C24H32N8O2/c1-14-12-16(14)13-34-23-27-20(21(33)29-24(2,3)4)26-22(28-23)32-10-7-15(8-11-32)18-17-6-5-9-25-19(17)31-30-18/h5-6,9,14-16H,7-8,10-13H2,1-4H3,(H,29,33)(H,25,30,31)/t14-,16-/m1/s1
InChIKeyDHIKZOCWMCRCDV-GDBMZVCRSA-N
MW464.57 g/mol
LogP3.09
Rot. Bonds6

About N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide

N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide (PubChem CID 126683869) has the molecular formula C24H32N8O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
PubChem CID126683869
Molecular FormulaC24H32N8O2
Molecular Weight464.57 g/mol
Exact Mass464.26
IUPAC NameN-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
SMILESC[C@@H]1C[C@@H]1COc1nc(C(=O)NC(C)(C)C)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1
InChIInChI=1S/C24H32N8O2/c1-14-12-16(14)13-34-23-27-20(21(33)29-24(2,3)4)26-22(28-23)32-10-7-15(8-11-32)18-17-6-5-9-25-19(17)31-30-18/h5-6,9,14-16H,7-8,10-13H2,1-4H3,(H,29,33)(H,25,30,31)/t14-,16-/m1/s1
InChIKeyDHIKZOCWMCRCDV-GDBMZVCRSA-N
XLogP3.09
TPSA121.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide?
The IUPAC name of N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide (CID 126683869) is N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide?
The canonical SMILES for N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide is C[C@@H]1C[C@@H]1COc1nc(C(=O)NC(C)(C)C)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1.
What is the InChIKey of N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide?
The InChIKey is DHIKZOCWMCRCDV-GDBMZVCRSA-N. The full InChI is InChI=1S/C24H32N8O2/c1-14-12-16(14)13-34-23-27-20(21(33)29-24(2,3)4)26-22(28-23)32-10-7-15(8-11-32)18-17-6-5-9-25-19(17)31-30-18/h5-6,9,14-16H,7-8,10-13H2,1-4H3,(H,29,33)(H,25,30,31)/t14-,16-/m1/s1.
What are the key properties of N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide?
N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[(1S,2R)-2-methylcyclopropyl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 126683869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).