7-(8-cyclopropylnaphthalen-1-yl)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C34H41FN6O — CID 163223132

IUPAC7-(8-cyclopropylnaphthalen-1-yl)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESFC1CN2CCCC2(COc2nc3c(c(N4C[C@H]5CC[C@@H](C4)N5)n2)CCN(c2cccc4cccc(C5CC5)c24)C3)C1
InChIInChI=1S/C34H41FN6O/c35-24-16-34(13-3-14-41(34)17-24)21-42-33-37-29-20-39(30-7-2-5-23-4-1-6-27(31(23)30)22-8-9-22)15-12-28(29)32(38-33)40-18-25-10-11-26(19-40)36-25/h1-2,4-7,22,24-26,36H,3,8-21H2/t24?,25-,26+,34?
InChIKeyRGOHJQSFLVWLBL-FHVRLYIBSA-N
MW568.74 g/mol
LogP4.97
Rot. Bonds6

About 7-(8-cyclopropylnaphthalen-1-yl)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

7-(8-cyclopropylnaphthalen-1-yl)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 163223132) has the molecular formula C34H41FN6O and a molecular weight of 568.74 g/mol. Its IUPAC name is 7-(8-cyclopropylnaphthalen-1-yl)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-(8-cyclopropylnaphthalen-1-yl)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID163223132
Molecular FormulaC34H41FN6O
Molecular Weight568.74 g/mol
Exact Mass568.33
IUPAC Name7-(8-cyclopropylnaphthalen-1-yl)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESFC1CN2CCCC2(COc2nc3c(c(N4C[C@H]5CC[C@@H](C4)N5)n2)CCN(c2cccc4cccc(C5CC5)c24)C3)C1
InChIInChI=1S/C34H41FN6O/c35-24-16-34(13-3-14-41(34)17-24)21-42-33-37-29-20-39(30-7-2-5-23-4-1-6-27(31(23)30)22-8-9-22)15-12-28(29)32(38-33)40-18-25-10-11-26(19-40)36-25/h1-2,4-7,22,24-26,36H,3,8-21H2/t24?,25-,26+,34?
InChIKeyRGOHJQSFLVWLBL-FHVRLYIBSA-N
XLogP4.97
TPSA56.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.74
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(8-cyclopropylnaphthalen-1-yl)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(8-cyclopropylnaphthalen-1-yl)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-(8-cyclopropylnaphthalen-1-yl)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 163223132) is 7-(8-cyclopropylnaphthalen-1-yl)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-(8-cyclopropylnaphthalen-1-yl)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-(8-cyclopropylnaphthalen-1-yl)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is FC1CN2CCCC2(COc2nc3c(c(N4C[C@H]5CC[C@@H](C4)N5)n2)CCN(c2cccc4cccc(C5CC5)c24)C3)C1.
What is the InChIKey of 7-(8-cyclopropylnaphthalen-1-yl)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is RGOHJQSFLVWLBL-FHVRLYIBSA-N. The full InChI is InChI=1S/C34H41FN6O/c35-24-16-34(13-3-14-41(34)17-24)21-42-33-37-29-20-39(30-7-2-5-23-4-1-6-27(31(23)30)22-8-9-22)15-12-28(29)32(38-33)40-18-25-10-11-26(19-40)36-25/h1-2,4-7,22,24-26,36H,3,8-21H2/t24?,25-,26+,34?.
What are the key properties of 7-(8-cyclopropylnaphthalen-1-yl)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-(8-cyclopropylnaphthalen-1-yl)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 568.74 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-cyclopropylnaphthalen-1-yl)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 163223132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).