5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(7-oxo-2,6-diazaspiro[4.5]decan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione

C38H37Cl2N7O4 — CID 177215656

IUPAC5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(7-oxo-2,6-diazaspiro[4.5]decan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione
SMILESCOc1nc(-c2cccc(-c3cccc(Nc4nccc5c4c(=O)n(C)c(=O)n5C)c3Cl)c2Cl)cc2c1C(N1CCC3(CCCC(=O)N3)C1)CC2
InChIInChI=1S/C38H37Cl2N7O4/c1-45-27-14-17-41-34(31(27)36(49)46(2)37(45)50)42-25-10-5-8-23(33(25)40)22-7-4-9-24(32(22)39)26-19-21-12-13-28(30(21)35(43-26)51-3)47-18-16-38(20-47)15-6-11-29(48)44-38/h4-5,7-10,14,17,19,28H,6,11-13,15-16,18,20H2,1-3H3,(H,41,42)(H,44,48)
InChIKeyDZJQEBGKTACUBP-UHFFFAOYSA-N
MW726.67 g/mol
LogP6.15
Rot. Bonds6

About 5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(7-oxo-2,6-diazaspiro[4.5]decan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione

5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(7-oxo-2,6-diazaspiro[4.5]decan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 177215656) has the molecular formula C38H37Cl2N7O4 and a molecular weight of 726.67 g/mol. Its IUPAC name is 5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(7-oxo-2,6-diazaspiro[4.5]decan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(7-oxo-2,6-diazaspiro[4.5]decan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID177215656
Molecular FormulaC38H37Cl2N7O4
Molecular Weight726.67 g/mol
Exact Mass725.23
IUPAC Name5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(7-oxo-2,6-diazaspiro[4.5]decan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione
SMILESCOc1nc(-c2cccc(-c3cccc(Nc4nccc5c4c(=O)n(C)c(=O)n5C)c3Cl)c2Cl)cc2c1C(N1CCC3(CCCC(=O)N3)C1)CC2
InChIInChI=1S/C38H37Cl2N7O4/c1-45-27-14-17-41-34(31(27)36(49)46(2)37(45)50)42-25-10-5-8-23(33(25)40)22-7-4-9-24(32(22)39)26-19-21-12-13-28(30(21)35(43-26)51-3)47-18-16-38(20-47)15-6-11-29(48)44-38/h4-5,7-10,14,17,19,28H,6,11-13,15-16,18,20H2,1-3H3,(H,41,42)(H,44,48)
InChIKeyDZJQEBGKTACUBP-UHFFFAOYSA-N
XLogP6.15
TPSA123.38 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.67
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(7-oxo-2,6-diazaspiro[4.5]decan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

5-[3-[2-chloro-3-[(7R)-1-methoxy-7-[(5S)-2-oxo-1,7-diazaspiro[4.4]nonan-7-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-1,3-dimethylpyrimido[4,5-d]pyridazine-2,4-dione
CID 177215191
5-[3-[2-chloro-3-[(7S)-1-methoxy-7-[(5S)-8-(2-methoxyethyl)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione
CID 177216554
5-[3-[2-chloro-3-[1-methoxy-7-[(5S)-7-oxo-2,6-diazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-1,3-dimethyl-7-(trifluoromethyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 177215252
5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(2-oxo-1,7-diazaspiro[4.4]nonan-7-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3-dimethyl-7-(trifluoromethyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 177215361
5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[(5R)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-7-(difluoromethyl)-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione
CID 177215568
5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[(5S)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 177216492
(5S)-2-[(7R)-3-[2-chloro-3-[2-chloro-3-[(4-hydroxy-3,7-dimethyl-4H-pyrido[3,4-d]pyridazin-5-yl)amino]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,6-diazaspiro[4.5]decan-7-one
CID 177215642
5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(2-oxo-1,3,7-triazaspiro[4.4]nonan-7-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 177215984
(5S)-2-[(7R)-3-[2-chloro-3-(2-methylphenyl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,6-diazaspiro[4.5]decan-7-one
CID 177214724
5-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-[(5R)-8-(2-methoxyethyl)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-7-(difluoromethyl)-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione
CID 177214763
5-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-[(5S)-8-(2-methoxyethyl)-7-oxo-2,6,8-triazaspiro[4.5]decan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-7-(difluoromethyl)-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione
CID 177216022
5-[2-chloro-3-[2-chloro-3-[(7S)-7-[(5S)-3-(2-hydroxyethyl)-2-oxo-1,3,7-triazaspiro[4.4]nonan-7-yl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 177216731

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(7-oxo-2,6-diazaspiro[4.5]decan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(7-oxo-2,6-diazaspiro[4.5]decan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione (CID 177215656) is 5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(7-oxo-2,6-diazaspiro[4.5]decan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(7-oxo-2,6-diazaspiro[4.5]decan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(7-oxo-2,6-diazaspiro[4.5]decan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione is COc1nc(-c2cccc(-c3cccc(Nc4nccc5c4c(=O)n(C)c(=O)n5C)c3Cl)c2Cl)cc2c1C(N1CCC3(CCCC(=O)N3)C1)CC2.
What is the InChIKey of 5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(7-oxo-2,6-diazaspiro[4.5]decan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is DZJQEBGKTACUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37Cl2N7O4/c1-45-27-14-17-41-34(31(27)36(49)46(2)37(45)50)42-25-10-5-8-23(33(25)40)22-7-4-9-24(32(22)39)26-19-21-12-13-28(30(21)35(43-26)51-3)47-18-16-38(20-47)15-6-11-29(48)44-38/h4-5,7-10,14,17,19,28H,6,11-13,15-16,18,20H2,1-3H3,(H,41,42)(H,44,48).
What are the key properties of 5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(7-oxo-2,6-diazaspiro[4.5]decan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione?
5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(7-oxo-2,6-diazaspiro[4.5]decan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 726.67 g/mol, XLogP of 6.15, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-3-[2-chloro-3-[1-methoxy-7-(7-oxo-2,6-diazaspiro[4.5]decan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 177215656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).