8-[2-(azetidin-3-yloxy)ethyl]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one

C26H27ClN6O2 — CID 90466034

IUPAC8-[2-(azetidin-3-yloxy)ethyl]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCOC3CNC3)c2n1
InChIInChI=1S/C26H27ClN6O2/c1-3-29-26-30-13-18-11-21(25(34)33(24(18)32-26)9-10-35-19-14-28-15-19)20-8-7-17(12-22(20)27)23-6-4-5-16(2)31-23/h4-8,11-13,19,28H,3,9-10,14-15H2,1-2H3,(H,29,30,32)
InChIKeyIGCPWMUOUYBSDR-UHFFFAOYSA-N
MW491.00 g/mol
LogP3.90
Rot. Bonds8

About 8-[2-(azetidin-3-yloxy)ethyl]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one

8-[2-(azetidin-3-yloxy)ethyl]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 90466034) has the molecular formula C26H27ClN6O2 and a molecular weight of 491.00 g/mol. Its IUPAC name is 8-[2-(azetidin-3-yloxy)ethyl]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[2-(azetidin-3-yloxy)ethyl]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID90466034
Molecular FormulaC26H27ClN6O2
Molecular Weight491.00 g/mol
Exact Mass490.19
IUPAC Name8-[2-(azetidin-3-yloxy)ethyl]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCOC3CNC3)c2n1
InChIInChI=1S/C26H27ClN6O2/c1-3-29-26-30-13-18-11-21(25(34)33(24(18)32-26)9-10-35-19-14-28-15-19)20-8-7-17(12-22(20)27)23-6-4-5-16(2)31-23/h4-8,11-13,19,28H,3,9-10,14-15H2,1-2H3,(H,29,30,32)
InChIKeyIGCPWMUOUYBSDR-UHFFFAOYSA-N
XLogP3.90
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.00
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(azetidin-3-yloxy)ethyl]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[2-(azetidin-3-yloxy)ethyl]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one (CID 90466034) is 8-[2-(azetidin-3-yloxy)ethyl]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[2-(azetidin-3-yloxy)ethyl]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[2-(azetidin-3-yloxy)ethyl]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one is CCNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCOC3CNC3)c2n1.
What is the InChIKey of 8-[2-(azetidin-3-yloxy)ethyl]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IGCPWMUOUYBSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O2/c1-3-29-26-30-13-18-11-21(25(34)33(24(18)32-26)9-10-35-19-14-28-15-19)20-8-7-17(12-22(20)27)23-6-4-5-16(2)31-23/h4-8,11-13,19,28H,3,9-10,14-15H2,1-2H3,(H,29,30,32).
What are the key properties of 8-[2-(azetidin-3-yloxy)ethyl]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one?
8-[2-(azetidin-3-yloxy)ethyl]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 491.00 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(azetidin-3-yloxy)ethyl]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 90466034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).