[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2H-triazol-4-yl)-2-pyridinyl]methanone

C24H22N8O — CID 86296259

IUPAC[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2H-triazol-4-yl)-2-pyridinyl]methanone
SMILESO=C(c1cc(-c2cn[nH]n2)ccn1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1
InChIInChI=1S/C24H22N8O/c33-23(21-11-17(5-7-25-21)22-13-27-31-30-22)32-8-6-20-18(14-32)12-26-24(29-20)28-19-9-15-3-1-2-4-16(15)10-19/h1-5,7,11-13,19H,6,8-10,14H2,(H,26,28,29)(H,27,30,31)
InChIKeyZYVZPBJHFQQGEH-UHFFFAOYSA-N
MW438.50 g/mol
LogP2.43
Rot. Bonds4

About [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2H-triazol-4-yl)-2-pyridinyl]methanone

[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2H-triazol-4-yl)-2-pyridinyl]methanone (PubChem CID 86296259) has the molecular formula C24H22N8O and a molecular weight of 438.50 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2H-triazol-4-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2H-triazol-4-yl)-2-pyridinyl]methanone
PubChem CID86296259
Molecular FormulaC24H22N8O
Molecular Weight438.50 g/mol
Exact Mass438.19
IUPAC Name[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2H-triazol-4-yl)-2-pyridinyl]methanone
SMILESO=C(c1cc(-c2cn[nH]n2)ccn1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1
InChIInChI=1S/C24H22N8O/c33-23(21-11-17(5-7-25-21)22-13-27-31-30-22)32-8-6-20-18(14-32)12-26-24(29-20)28-19-9-15-3-1-2-4-16(15)10-19/h1-5,7,11-13,19H,6,8-10,14H2,(H,26,28,29)(H,27,30,31)
InChIKeyZYVZPBJHFQQGEH-UHFFFAOYSA-N
XLogP2.43
TPSA112.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2H-triazol-4-yl)-2-pyridinyl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2H-triazol-4-yl)-2-pyridinyl]methanone?
The IUPAC name of [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2H-triazol-4-yl)-2-pyridinyl]methanone (CID 86296259) is [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2H-triazol-4-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2H-triazol-4-yl)-2-pyridinyl]methanone?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2H-triazol-4-yl)-2-pyridinyl]methanone is O=C(c1cc(-c2cn[nH]n2)ccn1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2H-triazol-4-yl)-2-pyridinyl]methanone?
The InChIKey is ZYVZPBJHFQQGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O/c33-23(21-11-17(5-7-25-21)22-13-27-31-30-22)32-8-6-20-18(14-32)12-26-24(29-20)28-19-9-15-3-1-2-4-16(15)10-19/h1-5,7,11-13,19H,6,8-10,14H2,(H,26,28,29)(H,27,30,31).
What are the key properties of [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2H-triazol-4-yl)-2-pyridinyl]methanone?
[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2H-triazol-4-yl)-2-pyridinyl]methanone has a molecular weight of 438.50 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(2H-triazol-4-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 86296259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).