N-[1-(6-chloropyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide

C18H13ClF3N5O2 — CID 66620957

IUPACN-[1-(6-chloropyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
SMILESCC(C#N)(Cn1cc2ncc(Cl)cc2n1)NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H13ClF3N5O2/c1-17(9-23,10-27-8-15-14(26-27)6-12(19)7-24-15)25-16(28)11-2-4-13(5-3-11)29-18(20,21)22/h2-8H,10H2,1H3,(H,25,28)
InChIKeyZRNPWHWXHLSBBX-UHFFFAOYSA-N
MW423.78 g/mol
LogP3.70
Rot. Bonds5

About N-[1-(6-chloropyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide

N-[1-(6-chloropyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 66620957) has the molecular formula C18H13ClF3N5O2 and a molecular weight of 423.78 g/mol. Its IUPAC name is N-[1-(6-chloropyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(6-chloropyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
PubChem CID66620957
Molecular FormulaC18H13ClF3N5O2
Molecular Weight423.78 g/mol
Exact Mass423.07
IUPAC NameN-[1-(6-chloropyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
SMILESCC(C#N)(Cn1cc2ncc(Cl)cc2n1)NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H13ClF3N5O2/c1-17(9-23,10-27-8-15-14(26-27)6-12(19)7-24-15)25-16(28)11-2-4-13(5-3-11)29-18(20,21)22/h2-8H,10H2,1H3,(H,25,28)
InChIKeyZRNPWHWXHLSBBX-UHFFFAOYSA-N
XLogP3.70
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.78
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloropyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[1-(6-chloropyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide (CID 66620957) is N-[1-(6-chloropyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[1-(6-chloropyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[1-(6-chloropyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide is CC(C#N)(Cn1cc2ncc(Cl)cc2n1)NC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[1-(6-chloropyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is ZRNPWHWXHLSBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N5O2/c1-17(9-23,10-27-8-15-14(26-27)6-12(19)7-24-15)25-16(28)11-2-4-13(5-3-11)29-18(20,21)22/h2-8H,10H2,1H3,(H,25,28).
What are the key properties of N-[1-(6-chloropyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide?
N-[1-(6-chloropyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 423.78 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloropyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 66620957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).