N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide

C19H19FN4O2 — CID 121379082

IUPACN-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide
SMILESCCC(=O)NC1COCc2c(-c3cc(F)c4cnn(C)c4c3)cncc21
InChIInChI=1S/C19H19FN4O2/c1-3-19(25)23-17-10-26-9-15-12(6-21-7-13(15)17)11-4-16(20)14-8-22-24(2)18(14)5-11/h4-8,17H,3,9-10H2,1-2H3,(H,23,25)
InChIKeyOSSUMLPJTOLPDJ-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.87
Rot. Bonds3

About N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide

N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide (PubChem CID 121379082) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide.

Molecular Properties

Compound NameN-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide
PubChem CID121379082
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC NameN-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide
SMILESCCC(=O)NC1COCc2c(-c3cc(F)c4cnn(C)c4c3)cncc21
InChIInChI=1S/C19H19FN4O2/c1-3-19(25)23-17-10-26-9-15-12(6-21-7-13(15)17)11-4-16(20)14-8-22-24(2)18(14)5-11/h4-8,17H,3,9-10H2,1-2H3,(H,23,25)
InChIKeyOSSUMLPJTOLPDJ-UHFFFAOYSA-N
XLogP2.87
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide?
The IUPAC name of N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide (CID 121379082) is N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide.
What is the SMILES notation for N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide?
The canonical SMILES for N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide is CCC(=O)NC1COCc2c(-c3cc(F)c4cnn(C)c4c3)cncc21.
What is the InChIKey of N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide?
The InChIKey is OSSUMLPJTOLPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-3-19(25)23-17-10-26-9-15-12(6-21-7-13(15)17)11-4-16(20)14-8-22-24(2)18(14)5-11/h4-8,17H,3,9-10H2,1-2H3,(H,23,25).
What are the key properties of N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide?
N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide has a molecular weight of 354.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide is sourced from PubChem (CID 121379082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).