N-methyl-5-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C18H25N7O — CID 56722898

IUPACN-methyl-5-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCNC(=O)c1n[nH]c2c1CN(c1cc(C3CCCNC3)nc(C)n1)CC2
InChIInChI=1S/C18H25N7O/c1-11-21-15(12-4-3-6-20-9-12)8-16(22-11)25-7-5-14-13(10-25)17(24-23-14)18(26)19-2/h8,12,20H,3-7,9-10H2,1-2H3,(H,19,26)(H,23,24)
InChIKeyLTQXZWOWCBJLLX-UHFFFAOYSA-N
MW355.45 g/mol
LogP0.90
Rot. Bonds3

About N-methyl-5-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

N-methyl-5-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 56722898) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is N-methyl-5-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID56722898
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC NameN-methyl-5-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCNC(=O)c1n[nH]c2c1CN(c1cc(C3CCCNC3)nc(C)n1)CC2
InChIInChI=1S/C18H25N7O/c1-11-21-15(12-4-3-6-20-9-12)8-16(22-11)25-7-5-14-13(10-25)17(24-23-14)18(26)19-2/h8,12,20H,3-7,9-10H2,1-2H3,(H,19,26)(H,23,24)
InChIKeyLTQXZWOWCBJLLX-UHFFFAOYSA-N
XLogP0.90
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-methyl-5-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 56722898) is N-methyl-5-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-5-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-5-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CNC(=O)c1n[nH]c2c1CN(c1cc(C3CCCNC3)nc(C)n1)CC2.
What is the InChIKey of N-methyl-5-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is LTQXZWOWCBJLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-11-21-15(12-4-3-6-20-9-12)8-16(22-11)25-7-5-14-13(10-25)17(24-23-14)18(26)19-2/h8,12,20H,3-7,9-10H2,1-2H3,(H,19,26)(H,23,24).
What are the key properties of N-methyl-5-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
N-methyl-5-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 355.45 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 56722898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).