6-pyrrolidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine

C22H22F3N7 — CID 155010030

IUPAC6-pyrrolidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine
SMILESC=C(Nc1cn[nH]c1C(=C)Nc1ccc(N2CCCC2)nc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C22H22F3N7/c1-14(16-5-7-19(26-11-16)22(23,24)25)30-18-13-28-31-21(18)15(2)29-17-6-8-20(27-12-17)32-9-3-4-10-32/h5-8,11-13,29-30H,1-4,9-10H2,(H,28,31)
InChIKeyIQJRRKNIGBPKQY-UHFFFAOYSA-N
MW441.46 g/mol
LogP4.98
Rot. Bonds7

About 6-pyrrolidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine

6-pyrrolidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine (PubChem CID 155010030) has the molecular formula C22H22F3N7 and a molecular weight of 441.46 g/mol. Its IUPAC name is 6-pyrrolidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine.

Molecular Properties

Compound Name6-pyrrolidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine
PubChem CID155010030
Molecular FormulaC22H22F3N7
Molecular Weight441.46 g/mol
Exact Mass441.19
IUPAC Name6-pyrrolidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine
SMILESC=C(Nc1cn[nH]c1C(=C)Nc1ccc(N2CCCC2)nc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C22H22F3N7/c1-14(16-5-7-19(26-11-16)22(23,24)25)30-18-13-28-31-21(18)15(2)29-17-6-8-20(27-12-17)32-9-3-4-10-32/h5-8,11-13,29-30H,1-4,9-10H2,(H,28,31)
InChIKeyIQJRRKNIGBPKQY-UHFFFAOYSA-N
XLogP4.98
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-piperidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine
CID 155010035
6-piperidin-1-yl-N-[1-[4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine
CID 155010127
N-[5-[(6-piperidin-1-yl-3-pyridinyl)carbamoyl]-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154654414
N-[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 154654222
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
N-[5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654515
N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide
CID 115778116
N-(6-pyrrolidin-1-yl-3-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 51075276
N-(6-piperidin-1-yl-3-pyridinyl)-4-sulfamoylbenzamide
CID 55502246
N-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33171812
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 43704451
[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone
CID 126782325

Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine?
The IUPAC name of 6-pyrrolidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine (CID 155010030) is 6-pyrrolidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine.
What is the SMILES notation for 6-pyrrolidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine?
The canonical SMILES for 6-pyrrolidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine is C=C(Nc1cn[nH]c1C(=C)Nc1ccc(N2CCCC2)nc1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 6-pyrrolidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine?
The InChIKey is IQJRRKNIGBPKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N7/c1-14(16-5-7-19(26-11-16)22(23,24)25)30-18-13-28-31-21(18)15(2)29-17-6-8-20(27-12-17)32-9-3-4-10-32/h5-8,11-13,29-30H,1-4,9-10H2,(H,28,31).
What are the key properties of 6-pyrrolidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine?
6-pyrrolidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine has a molecular weight of 441.46 g/mol, XLogP of 4.98, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine is sourced from PubChem (CID 155010030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).