2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-propylbenzamide

C19H18FN7O2 — CID 150416092

IUPAC2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-propylbenzamide
SMILESCCCNC(=O)c1cc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N
InChIInChI=1S/C19H18FN7O2/c1-2-3-23-19(28)11-4-10(13(20)5-14(11)21)16-15-17(29-27-18(15)22)12(8-24-16)9-6-25-26-7-9/h4-8H,2-3,21H2,1H3,(H2,22,27)(H,23,28)(H,25,26)
InChIKeyHGUTWJDKLXVXBF-UHFFFAOYSA-N
MW395.40 g/mol
LogP2.72
Rot. Bonds5

About 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-propylbenzamide

2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-propylbenzamide (PubChem CID 150416092) has the molecular formula C19H18FN7O2 and a molecular weight of 395.40 g/mol. Its IUPAC name is 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-propylbenzamide.

Molecular Properties

Compound Name2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-propylbenzamide
PubChem CID150416092
Molecular FormulaC19H18FN7O2
Molecular Weight395.40 g/mol
Exact Mass395.15
IUPAC Name2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-propylbenzamide
SMILESCCCNC(=O)c1cc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N
InChIInChI=1S/C19H18FN7O2/c1-2-3-23-19(28)11-4-10(13(20)5-14(11)21)16-15-17(29-27-18(15)22)12(8-24-16)9-6-25-26-7-9/h4-8H,2-3,21H2,1H3,(H2,22,27)(H,23,28)(H,25,26)
InChIKeyHGUTWJDKLXVXBF-UHFFFAOYSA-N
XLogP2.72
TPSA148.74 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tris[[4-[3-amino-4-[4-amino-2-chloro-5-(ethylcarbamoyl)phenyl]-[1,2]oxazolo[4,5-c]pyridin-7-yl]pyrazol-1-yl]methoxy]-hydroxyphosphanium
CID 166001947
2-amino-4,5-difluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64518550
2-amino-N-(3-phenylpropyl)-4-(1H-pyrazol-4-yl)benzamide
CID 118662916
N-[2-(ethylsulfonylamino)ethyl]-2-(1H-pyrazol-4-yl)benzamide
CID 126821326
4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole
CID 90292619
N-[(2,6-difluorophenyl)methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662908
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
2-amino-4,5-difluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106391337
2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54904588
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-propyl-1,2-oxazole-3-carboxamide
CID 53110074
3-fluoro-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 105385866
3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-yl)benzamide
CID 63185488

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-propylbenzamide?
The IUPAC name of 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-propylbenzamide (CID 150416092) is 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-propylbenzamide.
What is the SMILES notation for 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-propylbenzamide?
The canonical SMILES for 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-propylbenzamide is CCCNC(=O)c1cc(-c2ncc(-c3cn[nH]c3)c3onc(N)c23)c(F)cc1N.
What is the InChIKey of 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-propylbenzamide?
The InChIKey is HGUTWJDKLXVXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7O2/c1-2-3-23-19(28)11-4-10(13(20)5-14(11)21)16-15-17(29-27-18(15)22)12(8-24-16)9-6-25-26-7-9/h4-8H,2-3,21H2,1H3,(H2,22,27)(H,23,28)(H,25,26).
What are the key properties of 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-propylbenzamide?
2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-propylbenzamide has a molecular weight of 395.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-amino-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-yl]-4-fluoro-N-propylbenzamide is sourced from PubChem (CID 150416092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).