2-(2,3-dihydropyridin-6-yl)-6-(4-fluoro-6-piperidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C23H27FN6 — CID 145182045

IUPAC2-(2,3-dihydropyridin-6-yl)-6-(4-fluoro-6-piperidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC1c2cnc(C3=NCCC=C3)nc2CCN1c1cc(F)cc(N2CCCCC2)n1
InChIInChI=1S/C23H27FN6/c1-16-18-15-26-23(20-7-3-4-9-25-20)27-19(18)8-12-30(16)22-14-17(24)13-21(28-22)29-10-5-2-6-11-29/h3,7,13-16H,2,4-6,8-12H2,1H3
InChIKeyKZVREKGGGRVXNJ-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.87
Rot. Bonds3

About 2-(2,3-dihydropyridin-6-yl)-6-(4-fluoro-6-piperidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-(2,3-dihydropyridin-6-yl)-6-(4-fluoro-6-piperidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 145182045) has the molecular formula C23H27FN6 and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-(2,3-dihydropyridin-6-yl)-6-(4-fluoro-6-piperidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(2,3-dihydropyridin-6-yl)-6-(4-fluoro-6-piperidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID145182045
Molecular FormulaC23H27FN6
Molecular Weight406.51 g/mol
Exact Mass406.23
IUPAC Name2-(2,3-dihydropyridin-6-yl)-6-(4-fluoro-6-piperidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC1c2cnc(C3=NCCC=C3)nc2CCN1c1cc(F)cc(N2CCCCC2)n1
InChIInChI=1S/C23H27FN6/c1-16-18-15-26-23(20-7-3-4-9-25-20)27-19(18)8-12-30(16)22-14-17(24)13-21(28-22)29-10-5-2-6-11-29/h3,7,13-16H,2,4-6,8-12H2,1H3
InChIKeyKZVREKGGGRVXNJ-UHFFFAOYSA-N
XLogP3.87
TPSA57.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2,3-dihydropyridin-6-yl)-6-(4-fluoro-6-piperidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 139367423
4-fluoro-N,N-dimethyl-6-[(5R)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridin-2-amine
CID 122681038
6-[4-fluoro-6-(3-methyl-4-methylsulfinylpiperazin-1-yl)-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 146519390
1-[1-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]azetidin-3-yl]-2-methylsulfonylethanone
CID 159094999
4-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;4-[4-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine
CID 158775920
4-[6-(4,6-difluoro-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
CID 139461644
4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]-2-(methoxymethyl)morpholine
CID 139381247
tert-butyl N-[1-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 139367490
N-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]methanesulfonamide
CID 122669814
2-ethyl-4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;2-ethyl-4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine
CID 159808794
2-[4-[4-methyl-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 145427351
2-(4,5-dihydropyrimidin-2-yl)-6-[6-fluoro-4-(oxan-4-ylmethoxy)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 145182039

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyridin-6-yl)-6-(4-fluoro-6-piperidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(2,3-dihydropyridin-6-yl)-6-(4-fluoro-6-piperidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 145182045) is 2-(2,3-dihydropyridin-6-yl)-6-(4-fluoro-6-piperidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(2,3-dihydropyridin-6-yl)-6-(4-fluoro-6-piperidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(2,3-dihydropyridin-6-yl)-6-(4-fluoro-6-piperidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC1c2cnc(C3=NCCC=C3)nc2CCN1c1cc(F)cc(N2CCCCC2)n1.
What is the InChIKey of 2-(2,3-dihydropyridin-6-yl)-6-(4-fluoro-6-piperidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is KZVREKGGGRVXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6/c1-16-18-15-26-23(20-7-3-4-9-25-20)27-19(18)8-12-30(16)22-14-17(24)13-21(28-22)29-10-5-2-6-11-29/h3,7,13-16H,2,4-6,8-12H2,1H3.
What are the key properties of 2-(2,3-dihydropyridin-6-yl)-6-(4-fluoro-6-piperidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-(2,3-dihydropyridin-6-yl)-6-(4-fluoro-6-piperidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 406.51 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyridin-6-yl)-6-(4-fluoro-6-piperidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 145182045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).