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

C18H19F2N5 — CID 24916472

IUPAC6-[(3,5-difluoro-4-pyridinyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1cncc(F)c1CN1CCc2nc(C3=NCCCC3)ncc2C1
InChIInChI=1S/C18H19F2N5/c19-14-8-21-9-15(20)13(14)11-25-6-4-16-12(10-25)7-23-18(24-16)17-3-1-2-5-22-17/h7-9H,1-6,10-11H2
InChIKeyBVPNVPKELMQNCL-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.68
Rot. Bonds3

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

6-[(3,5-difluoro-4-pyridinyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24916472) has the molecular formula C18H19F2N5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 6-[(3,5-difluoro-4-pyridinyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(3,5-difluoro-4-pyridinyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24916472
Molecular FormulaC18H19F2N5
Molecular Weight343.38 g/mol
Exact Mass343.16
IUPAC Name6-[(3,5-difluoro-4-pyridinyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1cncc(F)c1CN1CCc2nc(C3=NCCCC3)ncc2C1
InChIInChI=1S/C18H19F2N5/c19-14-8-21-9-15(20)13(14)11-25-6-4-16-12(10-25)7-23-18(24-16)17-3-1-2-5-22-17/h7-9H,1-6,10-11H2
InChIKeyBVPNVPKELMQNCL-UHFFFAOYSA-N
XLogP2.68
TPSA54.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2,6-difluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928928
6-[(2-chloro-6-fluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929243
5-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole
CID 24912125
6-[(2-chloro-4-fluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929159
6-(1H-imidazol-2-ylmethyl)-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908663
2-(2,3,4,5-tetrahydropyridin-6-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929894
6-[(2,4-dichlorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928508
6-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914582
6-[(5-iodofuran-2-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910130
6-[(2-phenyl-1H-indol-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910844
6-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911873
5-methyl-3-phenyl-4-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole
CID 24912545

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-difluoro-4-pyridinyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(3,5-difluoro-4-pyridinyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24916472) is 6-[(3,5-difluoro-4-pyridinyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(3,5-difluoro-4-pyridinyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(3,5-difluoro-4-pyridinyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Fc1cncc(F)c1CN1CCc2nc(C3=NCCCC3)ncc2C1.
What is the InChIKey of 6-[(3,5-difluoro-4-pyridinyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is BVPNVPKELMQNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5/c19-14-8-21-9-15(20)13(14)11-25-6-4-16-12(10-25)7-23-18(24-16)17-3-1-2-5-22-17/h7-9H,1-6,10-11H2.
What are the key properties of 6-[(3,5-difluoro-4-pyridinyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(3,5-difluoro-4-pyridinyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 343.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-difluoro-4-pyridinyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24916472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).