3-pyrido[2,3-b]pyrazin-7-yl-3-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid

C24H25N7O2 — CID 134510650

IUPAC3-pyrido[2,3-b]pyrazin-7-yl-3-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CC(c1cnc2nccnc2c1)n1ccc(CCCc2ccc3c(n2)NCCC3)n1
InChIInChI=1S/C24H25N7O2/c32-22(33)14-21(17-13-20-24(28-15-17)27-11-10-25-20)31-12-8-19(30-31)5-1-4-18-7-6-16-3-2-9-26-23(16)29-18/h6-8,10-13,15,21H,1-5,9,14H2,(H,26,29)(H,32,33)
InChIKeyQYUXOVBKUQYUEC-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.21
Rot. Bonds8

About 3-pyrido[2,3-b]pyrazin-7-yl-3-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid

3-pyrido[2,3-b]pyrazin-7-yl-3-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid (PubChem CID 134510650) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 3-pyrido[2,3-b]pyrazin-7-yl-3-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-pyrido[2,3-b]pyrazin-7-yl-3-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid
PubChem CID134510650
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name3-pyrido[2,3-b]pyrazin-7-yl-3-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CC(c1cnc2nccnc2c1)n1ccc(CCCc2ccc3c(n2)NCCC3)n1
InChIInChI=1S/C24H25N7O2/c32-22(33)14-21(17-13-20-24(28-15-17)27-11-10-25-20)31-12-8-19(30-31)5-1-4-18-7-6-16-3-2-9-26-23(16)29-18/h6-8,10-13,15,21H,1-5,9,14H2,(H,26,29)(H,32,33)
InChIKeyQYUXOVBKUQYUEC-UHFFFAOYSA-N
XLogP3.21
TPSA118.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(3S)-3-(2-methylpyrimidin-5-yl)-3-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid
CID 139433419
(3S)-3-(2-methylpyrimidin-5-yl)-3-[3-[3-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)propyl]pyrazol-1-yl]propanoic acid
CID 139433390
(3S)-3-(6-phenylmethoxy-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid
CID 134499226
3-phenyl-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]butanoic acid
CID 10222901
3-hydroxy-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 90338346
(3S)-3-(2-propan-2-ylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 11292789
3-(5-methyl-3-pyridinyl)-3-[3-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid
CID 157088056
3-phenyl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid
CID 75002097
3-[2-(azetidin-1-yl)pyrimidin-5-yl]-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid
CID 134510737
3-(6-methoxy-3-pyridinyl)-3-[3-[3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propyl]pyrazol-1-yl]propanoic acid
CID 158368686
3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
CID 134500084
ethane-1,2-diamine;3-(2-methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 10181888

Frequently Asked Questions

What is the IUPAC name of 3-pyrido[2,3-b]pyrazin-7-yl-3-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-pyrido[2,3-b]pyrazin-7-yl-3-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid (CID 134510650) is 3-pyrido[2,3-b]pyrazin-7-yl-3-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-pyrido[2,3-b]pyrazin-7-yl-3-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-pyrido[2,3-b]pyrazin-7-yl-3-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid is O=C(O)CC(c1cnc2nccnc2c1)n1ccc(CCCc2ccc3c(n2)NCCC3)n1.
What is the InChIKey of 3-pyrido[2,3-b]pyrazin-7-yl-3-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid?
The InChIKey is QYUXOVBKUQYUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c32-22(33)14-21(17-13-20-24(28-15-17)27-11-10-25-20)31-12-8-19(30-31)5-1-4-18-7-6-16-3-2-9-26-23(16)29-18/h6-8,10-13,15,21H,1-5,9,14H2,(H,26,29)(H,32,33).
What are the key properties of 3-pyrido[2,3-b]pyrazin-7-yl-3-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid?
3-pyrido[2,3-b]pyrazin-7-yl-3-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid has a molecular weight of 443.51 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrido[2,3-b]pyrazin-7-yl-3-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 134510650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).