4-[3-(4-chloro-1H-indazol-6-yl)-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide

C20H16ClF3N4O2 — CID 165059212

IUPAC4-[3-(4-chloro-1H-indazol-6-yl)-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
SMILESO=C(Cc1ccnc(C(=O)NC2(C(F)(F)F)CC2)c1)Cc1cc(Cl)c2cn[nH]c2c1
InChIInChI=1S/C20H16ClF3N4O2/c21-15-7-12(9-16-14(15)10-26-28-16)6-13(29)5-11-1-4-25-17(8-11)18(30)27-19(2-3-19)20(22,23)24/h1,4,7-10H,2-3,5-6H2,(H,26,28)(H,27,30)
InChIKeyQXSWDDVRGUGXFU-UHFFFAOYSA-N
MW436.82 g/mol
LogP3.79
Rot. Bonds6

About 4-[3-(4-chloro-1H-indazol-6-yl)-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide

4-[3-(4-chloro-1H-indazol-6-yl)-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide (PubChem CID 165059212) has the molecular formula C20H16ClF3N4O2 and a molecular weight of 436.82 g/mol. Its IUPAC name is 4-[3-(4-chloro-1H-indazol-6-yl)-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-(4-chloro-1H-indazol-6-yl)-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
PubChem CID165059212
Molecular FormulaC20H16ClF3N4O2
Molecular Weight436.82 g/mol
Exact Mass436.09
IUPAC Name4-[3-(4-chloro-1H-indazol-6-yl)-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
SMILESO=C(Cc1ccnc(C(=O)NC2(C(F)(F)F)CC2)c1)Cc1cc(Cl)c2cn[nH]c2c1
InChIInChI=1S/C20H16ClF3N4O2/c21-15-7-12(9-16-14(15)10-26-28-16)6-13(29)5-11-1-4-25-17(8-11)18(30)27-19(2-3-19)20(22,23)24/h1,4,7-10H,2-3,5-6H2,(H,26,28)(H,27,30)
InChIKeyQXSWDDVRGUGXFU-UHFFFAOYSA-N
XLogP3.79
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.82
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chloro-1H-indazol-6-yl)-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide?
The IUPAC name of 4-[3-(4-chloro-1H-indazol-6-yl)-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide (CID 165059212) is 4-[3-(4-chloro-1H-indazol-6-yl)-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-(4-chloro-1H-indazol-6-yl)-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[3-(4-chloro-1H-indazol-6-yl)-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide is O=C(Cc1ccnc(C(=O)NC2(C(F)(F)F)CC2)c1)Cc1cc(Cl)c2cn[nH]c2c1.
What is the InChIKey of 4-[3-(4-chloro-1H-indazol-6-yl)-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide?
The InChIKey is QXSWDDVRGUGXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N4O2/c21-15-7-12(9-16-14(15)10-26-28-16)6-13(29)5-11-1-4-25-17(8-11)18(30)27-19(2-3-19)20(22,23)24/h1,4,7-10H,2-3,5-6H2,(H,26,28)(H,27,30).
What are the key properties of 4-[3-(4-chloro-1H-indazol-6-yl)-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide?
4-[3-(4-chloro-1H-indazol-6-yl)-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide has a molecular weight of 436.82 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chloro-1H-indazol-6-yl)-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 165059212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).