4-[6-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline

C24H24N6 — CID 24914865

IUPAC4-[6-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
SMILESCn1cc(CN2CCc3nc(-c4ccc(N)cc4)ncc3C2)c(-c2ccccc2)n1
InChIInChI=1S/C24H24N6/c1-29-14-20(23(28-29)17-5-3-2-4-6-17)16-30-12-11-22-19(15-30)13-26-24(27-22)18-7-9-21(25)10-8-18/h2-10,13-14H,11-12,15-16,25H2,1H3
InChIKeyYXIGIDJWVJIDLI-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.68
Rot. Bonds4

About 4-[6-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline

4-[6-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline (PubChem CID 24914865) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is 4-[6-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline.

Molecular Properties

Compound Name4-[6-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
PubChem CID24914865
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC Name4-[6-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
SMILESCn1cc(CN2CCc3nc(-c4ccc(N)cc4)ncc3C2)c(-c2ccccc2)n1
InChIInChI=1S/C24H24N6/c1-29-14-20(23(28-29)17-5-3-2-4-6-17)16-30-12-11-22-19(15-30)13-26-24(27-22)18-7-9-21(25)10-8-18/h2-10,13-14H,11-12,15-16,25H2,1H3
InChIKeyYXIGIDJWVJIDLI-UHFFFAOYSA-N
XLogP3.68
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24912555
4-[6-[(1-benzylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24912219
2-(4-aminophenyl)-6-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946253
4-[6-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24909741
4-[6-[(2,5-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24928854
4-[6-[(2-ethynylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24929421
4-[6-[(2,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24928413
6-[(1-methylimidazol-4-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913300
3-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine
CID 24911662
4-[6-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24915978
4-[6-[(2,5-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24928812
4-[6-[(4-chloro-1H-pyrazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24909783

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline?
The IUPAC name of 4-[6-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline (CID 24914865) is 4-[6-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline.
What is the SMILES notation for 4-[6-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline?
The canonical SMILES for 4-[6-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline is Cn1cc(CN2CCc3nc(-c4ccc(N)cc4)ncc3C2)c(-c2ccccc2)n1.
What is the InChIKey of 4-[6-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline?
The InChIKey is YXIGIDJWVJIDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6/c1-29-14-20(23(28-29)17-5-3-2-4-6-17)16-30-12-11-22-19(15-30)13-26-24(27-22)18-7-9-21(25)10-8-18/h2-10,13-14H,11-12,15-16,25H2,1H3.
What are the key properties of 4-[6-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline?
4-[6-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline has a molecular weight of 396.50 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline is sourced from PubChem (CID 24914865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).