6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(piperidin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one

C25H26ClN7O — CID 71558367

IUPAC6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(piperidin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(-c3nccnc3C)cc2Cl)cc2cnc(NC3CCCNC3)nc21
InChIInChI=1S/C25H26ClN7O/c1-3-33-23-17(13-30-25(32-23)31-18-5-4-8-27-14-18)11-20(24(33)34)19-7-6-16(12-21(19)26)22-15(2)28-9-10-29-22/h6-7,9-13,18,27H,3-5,8,14H2,1-2H3,(H,30,31,32)
InChIKeyKRLPKTOJDQGADJ-UHFFFAOYSA-N
MW475.98 g/mol
LogP4.06
Rot. Bonds5

About 6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(piperidin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(piperidin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 71558367) has the molecular formula C25H26ClN7O and a molecular weight of 475.98 g/mol. Its IUPAC name is 6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(piperidin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(piperidin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID71558367
Molecular FormulaC25H26ClN7O
Molecular Weight475.98 g/mol
Exact Mass475.19
IUPAC Name6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(piperidin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(-c3nccnc3C)cc2Cl)cc2cnc(NC3CCCNC3)nc21
InChIInChI=1S/C25H26ClN7O/c1-3-33-23-17(13-30-25(32-23)31-18-5-4-8-27-14-18)11-20(24(33)34)19-7-6-16(12-21(19)26)22-15(2)28-9-10-29-22/h6-7,9-13,18,27H,3-5,8,14H2,1-2H3,(H,30,31,32)
InChIKeyKRLPKTOJDQGADJ-UHFFFAOYSA-N
XLogP4.06
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(piperidin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(piperidin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 71558367) is 6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(piperidin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(piperidin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(piperidin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3nccnc3C)cc2Cl)cc2cnc(NC3CCCNC3)nc21.
What is the InChIKey of 6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(piperidin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KRLPKTOJDQGADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN7O/c1-3-33-23-17(13-30-25(32-23)31-18-5-4-8-27-14-18)11-20(24(33)34)19-7-6-16(12-21(19)26)22-15(2)28-9-10-29-22/h6-7,9-13,18,27H,3-5,8,14H2,1-2H3,(H,30,31,32).
What are the key properties of 6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(piperidin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(piperidin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 475.98 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(3-methylpyrazin-2-yl)phenyl]-8-ethyl-2-(piperidin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 71558367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).