N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C23H27N7 — CID 92667476

IUPACN-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESC[C@@H]1CCCCN1CCCNc1nc2ccccc2c2nc(-c3ccncc3)nn12
InChIInChI=1S/C23H27N7/c1-17-7-4-5-15-29(17)16-6-12-25-23-26-20-9-3-2-8-19(20)22-27-21(28-30(22)23)18-10-13-24-14-11-18/h2-3,8-11,13-14,17H,4-7,12,15-16H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyAVZFAPFELNJTEJ-QGZVFWFLSA-N
MW401.52 g/mol
LogP4.02
Rot. Bonds6

About N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 92667476) has the molecular formula C23H27N7 and a molecular weight of 401.52 g/mol. Its IUPAC name is N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID92667476
Molecular FormulaC23H27N7
Molecular Weight401.52 g/mol
Exact Mass401.23
IUPAC NameN-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESC[C@@H]1CCCCN1CCCNc1nc2ccccc2c2nc(-c3ccncc3)nn12
InChIInChI=1S/C23H27N7/c1-17-7-4-5-15-29(17)16-6-12-25-23-26-20-9-3-2-8-19(20)22-27-21(28-30(22)23)18-10-13-24-14-11-18/h2-3,8-11,13-14,17H,4-7,12,15-16H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyAVZFAPFELNJTEJ-QGZVFWFLSA-N
XLogP4.02
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-ylquinazolin-4-amine
CID 31581585
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880322
N-(3-propan-2-yloxypropyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880354
N-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880342
N-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880332
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]tetrazolo[5,1-a]phthalazin-6-amine
CID 92734456
N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine
CID 3068040
2-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]-3-(quinolin-4-ylmethyl)guanidine
CID 111969015
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8,9-dimethoxy-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880462
N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 62483663
2-[2-(2-methylpiperidin-1-yl)ethylamino]quinoline-4-carboxylic acid
CID 50806128
1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(quinolin-4-ylmethyl)guanidine
CID 111969013

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 92667476) is N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is C[C@@H]1CCCCN1CCCNc1nc2ccccc2c2nc(-c3ccncc3)nn12.
What is the InChIKey of N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is AVZFAPFELNJTEJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27N7/c1-17-7-4-5-15-29(17)16-6-12-25-23-26-20-9-3-2-8-19(20)22-27-21(28-30(22)23)18-10-13-24-14-11-18/h2-3,8-11,13-14,17H,4-7,12,15-16H2,1H3,(H,25,26)/t17-/m1/s1.
What are the key properties of N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 401.52 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 92667476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).