(1S)-1-[[3-(1,3-oxazol-5-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile

C19H13N5O2 — CID 163885900

IUPAC(1S)-1-[[3-(1,3-oxazol-5-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CC[C@@H]2Oc1cc2c(-c3cnco3)n[nH]c2cn1
InChIInChI=1S/C19H13N5O2/c20-7-11-1-3-13-12(5-11)2-4-16(13)26-18-6-14-15(8-22-18)23-24-19(14)17-9-21-10-25-17/h1,3,5-6,8-10,16H,2,4H2,(H,23,24)/t16-/m0/s1
InChIKeyPXGLMAQITVTQGO-INIZCTEOSA-N
MW343.35 g/mol
LogP3.55
Rot. Bonds3

About (1S)-1-[[3-(1,3-oxazol-5-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile

(1S)-1-[[3-(1,3-oxazol-5-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 163885900) has the molecular formula C19H13N5O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is (1S)-1-[[3-(1,3-oxazol-5-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name(1S)-1-[[3-(1,3-oxazol-5-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID163885900
Molecular FormulaC19H13N5O2
Molecular Weight343.35 g/mol
Exact Mass343.11
IUPAC Name(1S)-1-[[3-(1,3-oxazol-5-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CC[C@@H]2Oc1cc2c(-c3cnco3)n[nH]c2cn1
InChIInChI=1S/C19H13N5O2/c20-7-11-1-3-13-12(5-11)2-4-16(13)26-18-6-14-15(8-22-18)23-24-19(14)17-9-21-10-25-17/h1,3,5-6,8-10,16H,2,4H2,(H,23,24)/t16-/m0/s1
InChIKeyPXGLMAQITVTQGO-INIZCTEOSA-N
XLogP3.55
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-1-[[3-(1,3-oxazol-5-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile with MolForge

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Related Compounds

(1S)-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 166727811
(1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 156850668
(6S)-6-methyl-5-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]iminomethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 163444066
(1R)-1-[[3-(1,3-oxazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile
CID 163836572
(1S)-4-fluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 166722473
(1R)-2,2-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-1,3-dihydroindene-5-carbonitrile
CID 163743127
(7S)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile
CID 166727908
(1R)-4,6-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 156850611
(1S)-1-[[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 163456910
(1S)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile
CID 156850944
(1R)-7-methyl-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-2,3-dihydro-1H-indene-5-carbonitrile
CID 156850529
1-[(5-methyl-1H-indazol-6-yl)oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 164587417

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[[3-(1,3-oxazol-5-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of (1S)-1-[[3-(1,3-oxazol-5-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile (CID 163885900) is (1S)-1-[[3-(1,3-oxazol-5-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for (1S)-1-[[3-(1,3-oxazol-5-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for (1S)-1-[[3-(1,3-oxazol-5-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile is N#Cc1ccc2c(c1)CC[C@@H]2Oc1cc2c(-c3cnco3)n[nH]c2cn1.
What is the InChIKey of (1S)-1-[[3-(1,3-oxazol-5-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is PXGLMAQITVTQGO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H13N5O2/c20-7-11-1-3-13-12(5-11)2-4-16(13)26-18-6-14-15(8-22-18)23-24-19(14)17-9-21-10-25-17/h1,3,5-6,8-10,16H,2,4H2,(H,23,24)/t16-/m0/s1.
What are the key properties of (1S)-1-[[3-(1,3-oxazol-5-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile?
(1S)-1-[[3-(1,3-oxazol-5-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 343.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[[3-(1,3-oxazol-5-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 163885900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).