N-cyclopropyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

C19H23N7 — CID 126890340

IUPACN-cyclopropyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1ccn2c(CN3CCC(N(c4ccncn4)C4CC4)CC3)nnc2c1
InChIInChI=1S/C19H23N7/c1-2-10-25-18(3-1)22-23-19(25)13-24-11-7-16(8-12-24)26(15-4-5-15)17-6-9-20-14-21-17/h1-3,6,9-10,14-16H,4-5,7-8,11-13H2
InChIKeyBPRACVCYBGQOEM-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.15
Rot. Bonds5

About N-cyclopropyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

N-cyclopropyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126890340) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126890340
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC NameN-cyclopropyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1ccn2c(CN3CCC(N(c4ccncn4)C4CC4)CC3)nnc2c1
InChIInChI=1S/C19H23N7/c1-2-10-25-18(3-1)22-23-19(25)13-24-11-7-16(8-12-24)26(15-4-5-15)17-6-9-20-14-21-17/h1-3,6,9-10,14-16H,4-5,7-8,11-13H2
InChIKeyBPRACVCYBGQOEM-UHFFFAOYSA-N
XLogP2.15
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-N-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890188
N-cyclopropyl-N-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890149
N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine
CID 126890176
N-cyclopropyl-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890073
N-cyclopropyl-N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890116
N-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890079
N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900242
N-cyclopropyl-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171993953
6-tert-butyl-3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944683
2-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-3-methylpyrimidin-4-one
CID 126891541
3-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 126931931
N-cyclopentyl-4-[cyclopropyl(pyrimidin-4-yl)amino]piperidine-1-carboxamide
CID 126889961

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (CID 126890340) is N-cyclopropyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is c1ccn2c(CN3CCC(N(c4ccncn4)C4CC4)CC3)nnc2c1.
What is the InChIKey of N-cyclopropyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is BPRACVCYBGQOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-2-10-25-18(3-1)22-23-19(25)13-24-11-7-16(8-12-24)26(15-4-5-15)17-6-9-20-14-21-17/h1-3,6,9-10,14-16H,4-5,7-8,11-13H2.
What are the key properties of N-cyclopropyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
N-cyclopropyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 349.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126890340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).