[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C19H20F3N5O — CID 91632701

IUPAC[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCN(c2cc3c(nn2)CCCC3)CC1
InChIInChI=1S/C19H20F3N5O/c20-19(21,22)16-6-5-14(12-23-16)18(28)27-9-7-26(8-10-27)17-11-13-3-1-2-4-15(13)24-25-17/h5-6,11-12H,1-4,7-10H2
InChIKeyNWXGNIGXAPOGMG-UHFFFAOYSA-N
MW391.40 g/mol
LogP2.73
Rot. Bonds2

About [4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 91632701) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is [4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID91632701
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCN(c2cc3c(nn2)CCCC3)CC1
InChIInChI=1S/C19H20F3N5O/c20-19(21,22)16-6-5-14(12-23-16)18(28)27-9-7-26(8-10-27)17-11-13-3-1-2-4-15(13)24-25-17/h5-6,11-12H,1-4,7-10H2
InChIKeyNWXGNIGXAPOGMG-UHFFFAOYSA-N
XLogP2.73
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 91632701) is [4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)nc1)N1CCN(c2cc3c(nn2)CCCC3)CC1.
What is the InChIKey of [4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is NWXGNIGXAPOGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c20-19(21,22)16-6-5-14(12-23-16)18(28)27-9-7-26(8-10-27)17-11-13-3-1-2-4-15(13)24-25-17/h5-6,11-12H,1-4,7-10H2.
What are the key properties of [4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 391.40 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 91632701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).