6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C23H21FN6 — CID 24915383

IUPAC6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nn(-c2ccc(F)cc2)cc1CN1CCc2nc(-c3cccnc3)ncc2C1
InChIInChI=1S/C23H21FN6/c1-16-19(15-30(28-16)21-6-4-20(24)5-7-21)14-29-10-8-22-18(13-29)12-26-23(27-22)17-3-2-9-25-11-17/h2-7,9,11-12,15H,8,10,13-14H2,1H3
InChIKeySFLUOVCRHQOZJC-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.73
Rot. Bonds4

About 6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24915383) has the molecular formula C23H21FN6 and a molecular weight of 400.46 g/mol. Its IUPAC name is 6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24915383
Molecular FormulaC23H21FN6
Molecular Weight400.46 g/mol
Exact Mass400.18
IUPAC Name6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nn(-c2ccc(F)cc2)cc1CN1CCc2nc(-c3cccnc3)ncc2C1
InChIInChI=1S/C23H21FN6/c1-16-19(15-30(28-16)21-6-4-20(24)5-7-21)14-29-10-8-22-18(13-29)12-26-23(27-22)17-3-2-9-25-11-17/h2-7,9,11-12,15H,8,10,13-14H2,1H3
InChIKeySFLUOVCRHQOZJC-UHFFFAOYSA-N
XLogP3.73
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(6-fluoro-1H-indol-3-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909566
6-[(2-chloro-5-fluoro-3-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913073
2-pyridin-3-yl-6-(quinolin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908960
6-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914228
6-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917818
6-[(3-bromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915026
2-pyridin-3-yl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917293
2-pyridin-3-yl-6-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913283
6-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912317
6-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909734
7-[(2-methylphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930286
6-[(3,5-dibromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915740

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24915383) is 6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1nn(-c2ccc(F)cc2)cc1CN1CCc2nc(-c3cccnc3)ncc2C1.
What is the InChIKey of 6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is SFLUOVCRHQOZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6/c1-16-19(15-30(28-16)21-6-4-20(24)5-7-21)14-29-10-8-22-18(13-29)12-26-23(27-22)17-3-2-9-25-11-17/h2-7,9,11-12,15H,8,10,13-14H2,1H3.
What are the key properties of 6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 400.46 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24915383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).