1,3-dimethyl-6-[1-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyrazolo[5,4-b]pyridine

C25H28N6 — CID 92631648

IUPAC1,3-dimethyl-6-[1-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyrazolo[5,4-b]pyridine
SMILESCc1ccc(-c2ncc(CN3CCC(c4ccc5c(C)nn(C)c5n4)CC3)cn2)cc1
InChIInChI=1S/C25H28N6/c1-17-4-6-21(7-5-17)24-26-14-19(15-27-24)16-31-12-10-20(11-13-31)23-9-8-22-18(2)29-30(3)25(22)28-23/h4-9,14-15,20H,10-13,16H2,1-3H3
InChIKeyFDXLBNTYVPISGQ-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.42
Rot. Bonds4

About 1,3-dimethyl-6-[1-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyrazolo[5,4-b]pyridine

1,3-dimethyl-6-[1-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyrazolo[5,4-b]pyridine (PubChem CID 92631648) has the molecular formula C25H28N6 and a molecular weight of 412.54 g/mol. Its IUPAC name is 1,3-dimethyl-6-[1-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1,3-dimethyl-6-[1-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyrazolo[5,4-b]pyridine
PubChem CID92631648
Molecular FormulaC25H28N6
Molecular Weight412.54 g/mol
Exact Mass412.24
IUPAC Name1,3-dimethyl-6-[1-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyrazolo[5,4-b]pyridine
SMILESCc1ccc(-c2ncc(CN3CCC(c4ccc5c(C)nn(C)c5n4)CC3)cn2)cc1
InChIInChI=1S/C25H28N6/c1-17-4-6-21(7-5-17)24-26-14-19(15-27-24)16-31-12-10-20(11-13-31)23-9-8-22-18(2)29-30(3)25(22)28-23/h4-9,14-15,20H,10-13,16H2,1-3H3
InChIKeyFDXLBNTYVPISGQ-UHFFFAOYSA-N
XLogP4.42
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[1-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 1,3-dimethyl-6-[1-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyrazolo[5,4-b]pyridine (CID 92631648) is 1,3-dimethyl-6-[1-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1,3-dimethyl-6-[1-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1,3-dimethyl-6-[1-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyrazolo[5,4-b]pyridine is Cc1ccc(-c2ncc(CN3CCC(c4ccc5c(C)nn(C)c5n4)CC3)cn2)cc1.
What is the InChIKey of 1,3-dimethyl-6-[1-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyrazolo[5,4-b]pyridine?
The InChIKey is FDXLBNTYVPISGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6/c1-17-4-6-21(7-5-17)24-26-14-19(15-27-24)16-31-12-10-20(11-13-31)23-9-8-22-18(2)29-30(3)25(22)28-23/h4-9,14-15,20H,10-13,16H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[1-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyrazolo[5,4-b]pyridine?
1,3-dimethyl-6-[1-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyrazolo[5,4-b]pyridine has a molecular weight of 412.54 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[1-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 92631648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).