3-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]propan-1-amine

C26H23N5 — CID 123309912

IUPAC3-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]propan-1-amine
SMILESNCCCc1ccc(-c2nc3ccnc(-c4cn[nH]c4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C26H23N5/c27-13-4-5-18-8-10-20(11-9-18)26-22(19-6-2-1-3-7-19)15-23-24(31-26)12-14-28-25(23)21-16-29-30-17-21/h1-3,6-12,14-17H,4-5,13,27H2,(H,29,30)
InChIKeyHDDMBJRASYITDT-UHFFFAOYSA-N
MW405.51 g/mol
LogP5.25
Rot. Bonds6

About 3-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]propan-1-amine

3-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]propan-1-amine (PubChem CID 123309912) has the molecular formula C26H23N5 and a molecular weight of 405.51 g/mol. Its IUPAC name is 3-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]propan-1-amine
PubChem CID123309912
Molecular FormulaC26H23N5
Molecular Weight405.51 g/mol
Exact Mass405.20
IUPAC Name3-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]propan-1-amine
SMILESNCCCc1ccc(-c2nc3ccnc(-c4cn[nH]c4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C26H23N5/c27-13-4-5-18-8-10-20(11-9-18)26-22(19-6-2-1-3-7-19)15-23-24(31-26)12-14-28-25(23)21-16-29-30-17-21/h1-3,6-12,14-17H,4-5,13,27H2,(H,29,30)
InChIKeyHDDMBJRASYITDT-UHFFFAOYSA-N
XLogP5.25
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.51
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride
CID 173038029
[4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524189
[4-(3-phenyl-5-pyrimidin-1-ium-5-yl-1,6-naphthyridin-2-yl)phenyl]methanamine
CID 123711082
4-[2-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethyl]aniline
CID 58524482
1H-indol-5-yl-[[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]methyl]azanium;2,2,2-trifluoroacetate
CID 87423124
4-[1-hydroxy-2-[[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]methylamino]propyl]phenol;2,2,2-trifluoroacetic acid
CID 171930339
[2-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]-5,8-dioxaspiro[3.4]octan-2-yl]carbamic acid
CID 68782120
[4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride
CID 173038267
N'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine
CID 58524469
[4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524866
[4-[3-phenyl-5-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)-1,6-naphthyridin-2-yl]phenyl]methanamine
CID 58524544
1-(2-aminocyclopropyl)-3-[4-[3-(2-fluorophenyl)-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-ol
CID 91001698

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]propan-1-amine?
The IUPAC name of 3-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]propan-1-amine (CID 123309912) is 3-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]propan-1-amine.
What is the SMILES notation for 3-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]propan-1-amine?
The canonical SMILES for 3-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]propan-1-amine is NCCCc1ccc(-c2nc3ccnc(-c4cn[nH]c4)c3cc2-c2ccccc2)cc1.
What is the InChIKey of 3-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]propan-1-amine?
The InChIKey is HDDMBJRASYITDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5/c27-13-4-5-18-8-10-20(11-9-18)26-22(19-6-2-1-3-7-19)15-23-24(31-26)12-14-28-25(23)21-16-29-30-17-21/h1-3,6-12,14-17H,4-5,13,27H2,(H,29,30).
What are the key properties of 3-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]propan-1-amine?
3-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]propan-1-amine has a molecular weight of 405.51 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]propan-1-amine is sourced from PubChem (CID 123309912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).