1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropan-1-amine

C29H21N9 — CID 59473046

IUPAC1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropan-1-amine
SMILESNC1(c2ccc(-c3nc4ccn5c(-c6nc7ncccn7n6)nnc5c4cc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C29H21N9/c30-29(12-13-29)20-9-7-19(8-10-20)24-21(18-5-2-1-3-6-18)17-22-23(32-24)11-16-37-26(22)34-35-27(37)25-33-28-31-14-4-15-38(28)36-25/h1-11,14-17H,12-13,30H2
InChIKeyJSWJAQFVHYGTLS-UHFFFAOYSA-N
MW495.55 g/mol
LogP4.66
Rot. Bonds4

About 1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropan-1-amine

1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropan-1-amine (PubChem CID 59473046) has the molecular formula C29H21N9 and a molecular weight of 495.55 g/mol. Its IUPAC name is 1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropan-1-amine
PubChem CID59473046
Molecular FormulaC29H21N9
Molecular Weight495.55 g/mol
Exact Mass495.19
IUPAC Name1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropan-1-amine
SMILESNC1(c2ccc(-c3nc4ccn5c(-c6nc7ncccn7n6)nnc5c4cc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C29H21N9/c30-29(12-13-29)20-9-7-19(8-10-20)24-21(18-5-2-1-3-6-18)17-22-23(32-24)11-16-37-26(22)34-35-27(37)25-33-28-31-14-4-15-38(28)36-25/h1-11,14-17H,12-13,30H2
InChIKeyJSWJAQFVHYGTLS-UHFFFAOYSA-N
XLogP4.66
TPSA112.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.55
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropan-1-amine with MolForge

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Related Compounds

1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclobutan-1-amine
CID 24964269
1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine
CID 59473018
3-fluoro-1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine
CID 44556030
8,9-diphenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
CID 141180044
[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine
CID 59473066
1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclohexan-1-amine;dihydrochloride
CID 67254639
1-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine
CID 163955466
3-methoxy-3-methyl-1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclobutan-1-amine
CID 58229850
[8-[4-(1-aminocyclopropyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-yl]methanol;4-[3-(hydroxymethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]benzaldehyde;4-[3-(hydroxymethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]benzonitrile
CID 160991902
1-[4-(9-phenyl-3-piperidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine
CID 24963919
1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine
CID 58524603
1-[4-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclobutan-1-amine
CID 24968889

Frequently Asked Questions

What is the IUPAC name of 1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropan-1-amine (CID 59473046) is 1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropan-1-amine is NC1(c2ccc(-c3nc4ccn5c(-c6nc7ncccn7n6)nnc5c4cc3-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropan-1-amine?
The InChIKey is JSWJAQFVHYGTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N9/c30-29(12-13-29)20-9-7-19(8-10-20)24-21(18-5-2-1-3-6-18)17-22-23(32-24)11-16-37-26(22)34-35-27(37)25-33-28-31-14-4-15-38(28)36-25/h1-11,14-17H,12-13,30H2.
What are the key properties of 1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropan-1-amine?
1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropan-1-amine has a molecular weight of 495.55 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropan-1-amine is sourced from PubChem (CID 59473046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).