6-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C23H18Cl2N4S — CID 24914491

IUPAC6-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1ccc(-c2ccc(CN3CCc4nc(-c5cccs5)ncc4C3)cn2)cc1Cl
InChIInChI=1S/C23H18Cl2N4S/c24-18-5-4-16(10-19(18)25)20-6-3-15(11-26-20)13-29-8-7-21-17(14-29)12-27-23(28-21)22-2-1-9-30-22/h1-6,9-12H,7-8,13-14H2
InChIKeyPUEGYYWYQUKKQO-UHFFFAOYSA-N
MW453.40 g/mol
LogP6.13
Rot. Bonds4

About 6-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24914491) has the molecular formula C23H18Cl2N4S and a molecular weight of 453.40 g/mol. Its IUPAC name is 6-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24914491
Molecular FormulaC23H18Cl2N4S
Molecular Weight453.40 g/mol
Exact Mass452.06
IUPAC Name6-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1ccc(-c2ccc(CN3CCc4nc(-c5cccs5)ncc4C3)cn2)cc1Cl
InChIInChI=1S/C23H18Cl2N4S/c24-18-5-4-16(10-19(18)25)20-6-3-15(11-26-20)13-29-8-7-21-17(14-29)12-27-23(28-21)22-2-1-9-30-22/h1-6,9-12H,7-8,13-14H2
InChIKeyPUEGYYWYQUKKQO-UHFFFAOYSA-N
XLogP6.13
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.40
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914472
6-[(1-benzylpyrazol-4-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912223
6-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910942
6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911740
6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914101
4-[6-[[6-(3,5-dichlorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24914424
6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914110
6-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913048
6-(1H-imidazol-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908677
2-(4-chlorophenyl)-6-[(6-thiophen-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915414
6-[(5-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910354
6-(quinoxalin-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910732

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24914491) is 6-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1ccc(-c2ccc(CN3CCc4nc(-c5cccs5)ncc4C3)cn2)cc1Cl.
What is the InChIKey of 6-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is PUEGYYWYQUKKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4S/c24-18-5-4-16(10-19(18)25)20-6-3-15(11-26-20)13-29-8-7-21-17(14-29)12-27-23(28-21)22-2-1-9-30-22/h1-6,9-12H,7-8,13-14H2.
What are the key properties of 6-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 453.40 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24914491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).