N-[3-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]cyclopropanecarboxamide

C29H23N5O2 — CID 22724013

IUPACN-[3-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(-c2cccc(-n3c(=O)c(Cc4cccnc4)nc4cccnc43)c2)c1)C1CC1
InChIInChI=1S/C29H23N5O2/c35-28(20-11-12-20)32-23-8-1-6-21(16-23)22-7-2-9-24(17-22)34-27-25(10-4-14-31-27)33-26(29(34)36)15-19-5-3-13-30-18-19/h1-10,13-14,16-18,20H,11-12,15H2,(H,32,35)
InChIKeyQIPKURPTGGXUBO-UHFFFAOYSA-N
MW473.54 g/mol
LogP4.78
Rot. Bonds6

About N-[3-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]cyclopropanecarboxamide

N-[3-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]cyclopropanecarboxamide (PubChem CID 22724013) has the molecular formula C29H23N5O2 and a molecular weight of 473.54 g/mol. Its IUPAC name is N-[3-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]cyclopropanecarboxamide
PubChem CID22724013
Molecular FormulaC29H23N5O2
Molecular Weight473.54 g/mol
Exact Mass473.19
IUPAC NameN-[3-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(-c2cccc(-n3c(=O)c(Cc4cccnc4)nc4cccnc43)c2)c1)C1CC1
InChIInChI=1S/C29H23N5O2/c35-28(20-11-12-20)32-23-8-1-6-21(16-23)22-7-2-9-24(17-22)34-27-25(10-4-14-31-27)33-26(29(34)36)15-19-5-3-13-30-18-19/h1-10,13-14,16-18,20H,11-12,15H2,(H,32,35)
InChIKeyQIPKURPTGGXUBO-UHFFFAOYSA-N
XLogP4.78
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]cyclopropanecarboxamide (CID 22724013) is N-[3-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(-c2cccc(-n3c(=O)c(Cc4cccnc4)nc4cccnc43)c2)c1)C1CC1.
What is the InChIKey of N-[3-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]cyclopropanecarboxamide?
The InChIKey is QIPKURPTGGXUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5O2/c35-28(20-11-12-20)32-23-8-1-6-21(16-23)22-7-2-9-24(17-22)34-27-25(10-4-14-31-27)33-26(29(34)36)15-19-5-3-13-30-18-19/h1-10,13-14,16-18,20H,11-12,15H2,(H,32,35).
What are the key properties of N-[3-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]cyclopropanecarboxamide?
N-[3-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]cyclopropanecarboxamide has a molecular weight of 473.54 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[3-oxo-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-4-yl]phenyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 22724013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).