4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-7-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2-pyridinyl]oxymethyl]pyrido[2,3-d]pyrimidine

C35H34N4O — CID 67697791

IUPAC4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-7-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2-pyridinyl]oxymethyl]pyrido[2,3-d]pyrimidine
SMILESc1ccc2c(c1)CCCC2Cc1ccnc(OCc2ccc3c(CC4CCCc5ccccc54)ncnc3n2)c1
InChIInChI=1S/C35H34N4O/c1-3-13-30-25(7-1)9-5-11-27(30)19-24-17-18-36-34(20-24)40-22-29-15-16-32-33(37-23-38-35(32)39-29)21-28-12-6-10-26-8-2-4-14-31(26)28/h1-4,7-8,13-18,20,23,27-28H,5-6,9-12,19,21-22H2
InChIKeyNQGAPFWFINOMIY-UHFFFAOYSA-N
MW526.68 g/mol
LogP7.32
Rot. Bonds7

About 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-7-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2-pyridinyl]oxymethyl]pyrido[2,3-d]pyrimidine

4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-7-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2-pyridinyl]oxymethyl]pyrido[2,3-d]pyrimidine (PubChem CID 67697791) has the molecular formula C35H34N4O and a molecular weight of 526.68 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-7-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2-pyridinyl]oxymethyl]pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-7-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2-pyridinyl]oxymethyl]pyrido[2,3-d]pyrimidine
PubChem CID67697791
Molecular FormulaC35H34N4O
Molecular Weight526.68 g/mol
Exact Mass526.27
IUPAC Name4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-7-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2-pyridinyl]oxymethyl]pyrido[2,3-d]pyrimidine
SMILESc1ccc2c(c1)CCCC2Cc1ccnc(OCc2ccc3c(CC4CCCc5ccccc54)ncnc3n2)c1
InChIInChI=1S/C35H34N4O/c1-3-13-30-25(7-1)9-5-11-27(30)19-24-17-18-36-34(20-24)40-22-29-15-16-32-33(37-23-38-35(32)39-29)21-28-12-6-10-26-8-2-4-14-31(26)28/h1-4,7-8,13-18,20,23,27-28H,5-6,9-12,19,21-22H2
InChIKeyNQGAPFWFINOMIY-UHFFFAOYSA-N
XLogP7.32
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.68
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-7-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2-pyridinyl]oxymethyl]pyrido[2,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-7-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2-pyridinyl]oxymethyl]pyrido[2,3-d]pyrimidine?
The IUPAC name of 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-7-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2-pyridinyl]oxymethyl]pyrido[2,3-d]pyrimidine (CID 67697791) is 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-7-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2-pyridinyl]oxymethyl]pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-7-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2-pyridinyl]oxymethyl]pyrido[2,3-d]pyrimidine?
The canonical SMILES for 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-7-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2-pyridinyl]oxymethyl]pyrido[2,3-d]pyrimidine is c1ccc2c(c1)CCCC2Cc1ccnc(OCc2ccc3c(CC4CCCc5ccccc54)ncnc3n2)c1.
What is the InChIKey of 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-7-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2-pyridinyl]oxymethyl]pyrido[2,3-d]pyrimidine?
The InChIKey is NQGAPFWFINOMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N4O/c1-3-13-30-25(7-1)9-5-11-27(30)19-24-17-18-36-34(20-24)40-22-29-15-16-32-33(37-23-38-35(32)39-29)21-28-12-6-10-26-8-2-4-14-31(26)28/h1-4,7-8,13-18,20,23,27-28H,5-6,9-12,19,21-22H2.
What are the key properties of 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-7-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2-pyridinyl]oxymethyl]pyrido[2,3-d]pyrimidine?
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-7-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2-pyridinyl]oxymethyl]pyrido[2,3-d]pyrimidine has a molecular weight of 526.68 g/mol, XLogP of 7.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-7-[[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2-pyridinyl]oxymethyl]pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 67697791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).