6-(cyclopropylmethyl)-2-ethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C20H23F3N4O — CID 167433212

IUPAC6-(cyclopropylmethyl)-2-ethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCc1nc2c(c(OCc3ccc(C(F)(F)F)nc3)n1)CN(CC1CC1)CC2
InChIInChI=1S/C20H23F3N4O/c1-2-18-25-16-7-8-27(10-13-3-4-13)11-15(16)19(26-18)28-12-14-5-6-17(24-9-14)20(21,22)23/h5-6,9,13H,2-4,7-8,10-12H2,1H3
InChIKeyITTFGJWHBUMUBM-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.80
Rot. Bonds6

About 6-(cyclopropylmethyl)-2-ethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(cyclopropylmethyl)-2-ethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 167433212) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-2-ethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(cyclopropylmethyl)-2-ethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID167433212
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC Name6-(cyclopropylmethyl)-2-ethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCc1nc2c(c(OCc3ccc(C(F)(F)F)nc3)n1)CN(CC1CC1)CC2
InChIInChI=1S/C20H23F3N4O/c1-2-18-25-16-7-8-27(10-13-3-4-13)11-15(16)19(26-18)28-12-14-5-6-17(24-9-14)20(21,22)23/h5-6,9,13H,2-4,7-8,10-12H2,1H3
InChIKeyITTFGJWHBUMUBM-UHFFFAOYSA-N
XLogP3.80
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)-2-ethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(cyclopropylmethyl)-2-ethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 167433212) is 6-(cyclopropylmethyl)-2-ethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(cyclopropylmethyl)-2-ethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(cyclopropylmethyl)-2-ethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCc1nc2c(c(OCc3ccc(C(F)(F)F)nc3)n1)CN(CC1CC1)CC2.
What is the InChIKey of 6-(cyclopropylmethyl)-2-ethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is ITTFGJWHBUMUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O/c1-2-18-25-16-7-8-27(10-13-3-4-13)11-15(16)19(26-18)28-12-14-5-6-17(24-9-14)20(21,22)23/h5-6,9,13H,2-4,7-8,10-12H2,1H3.
What are the key properties of 6-(cyclopropylmethyl)-2-ethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(cyclopropylmethyl)-2-ethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 392.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethyl)-2-ethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 167433212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).