4-(4-fluorophenoxy)-6-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C23H24FN5O — CID 92570674

IUPAC4-(4-fluorophenoxy)-6-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1ccc(Oc2nc(N3CCCC3)nc3c2CN(Cc2cccnc2)CC3)cc1
InChIInChI=1S/C23H24FN5O/c24-18-5-7-19(8-6-18)30-22-20-16-28(15-17-4-3-10-25-14-17)13-9-21(20)26-23(27-22)29-11-1-2-12-29/h3-8,10,14H,1-2,9,11-13,15-16H2
InChIKeyYJMXOHXVRAQNKM-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.96
Rot. Bonds5

About 4-(4-fluorophenoxy)-6-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-(4-fluorophenoxy)-6-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 92570674) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-6-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-6-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID92570674
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name4-(4-fluorophenoxy)-6-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1ccc(Oc2nc(N3CCCC3)nc3c2CN(Cc2cccnc2)CC3)cc1
InChIInChI=1S/C23H24FN5O/c24-18-5-7-19(8-6-18)30-22-20-16-28(15-17-4-3-10-25-14-17)13-9-21(20)26-23(27-22)29-11-1-2-12-29/h3-8,10,14H,1-2,9,11-13,15-16H2
InChIKeyYJMXOHXVRAQNKM-UHFFFAOYSA-N
XLogP3.96
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-(4-fluorophenoxy)-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile
CID 46072411
4-(4-fluorophenoxy)-6-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46072171
3-[(4-phenoxy-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzonitrile
CID 42870721
4-(4-fluorophenoxy)-2-(4-methylpiperazin-1-yl)-6-[(4-nitrophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46072187
4-(4-fluorophenoxy)-2-(4-methylpiperazin-1-yl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 83283666
4-[6-[(4-fluorophenyl)methyl]-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072197
[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(1R,2S)-2-methylcyclopropyl]methanone
CID 92583619
2-(4-fluorophenyl)-1-[4-(4-methylphenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 46073296
6-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluoro-3-methylphenoxy)-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46072435
[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methoxyphenyl)methanone
CID 46050294
(4-chlorophenyl)-[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46050291
[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(2R)-oxolan-2-yl]methanone
CID 92570243

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-6-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(4-fluorophenoxy)-6-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 92570674) is 4-(4-fluorophenoxy)-6-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(4-fluorophenoxy)-6-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(4-fluorophenoxy)-6-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Fc1ccc(Oc2nc(N3CCCC3)nc3c2CN(Cc2cccnc2)CC3)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-6-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is YJMXOHXVRAQNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c24-18-5-7-19(8-6-18)30-22-20-16-28(15-17-4-3-10-25-14-17)13-9-21(20)26-23(27-22)29-11-1-2-12-29/h3-8,10,14H,1-2,9,11-13,15-16H2.
What are the key properties of 4-(4-fluorophenoxy)-6-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-(4-fluorophenoxy)-6-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 405.48 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-6-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 92570674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).