(2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone

C19H22F3N5O — CID 24995356

IUPAC(2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCC(C)[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1
InChIInChI=1S/C19H22F3N5O/c1-11(2)14-10-27(9-8-24-14)15-6-5-13(19(20,21)22)16(26-15)17(28)12-4-3-7-25-18(12)23/h3-7,11,14,24H,8-10H2,1-2H3,(H2,23,25)/t14-/m1/s1
InChIKeyTYLQRYMWYMQCRI-CQSZACIVSA-N
MW393.41 g/mol
LogP2.74
Rot. Bonds4

About (2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone

(2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 24995356) has the molecular formula C19H22F3N5O and a molecular weight of 393.41 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID24995356
Molecular FormulaC19H22F3N5O
Molecular Weight393.41 g/mol
Exact Mass393.18
IUPAC Name(2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCC(C)[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1
InChIInChI=1S/C19H22F3N5O/c1-11(2)14-10-27(9-8-24-14)15-6-5-13(19(20,21)22)16(26-15)17(28)12-4-3-7-25-18(12)23/h3-7,11,14,24H,8-10H2,1-2H3,(H2,23,25)/t14-/m1/s1
InChIKeyTYLQRYMWYMQCRI-CQSZACIVSA-N
XLogP2.74
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of (2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone (CID 24995356) is (2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone is CC(C)[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.
What is the InChIKey of (2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is TYLQRYMWYMQCRI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22F3N5O/c1-11(2)14-10-27(9-8-24-14)15-6-5-13(19(20,21)22)16(26-15)17(28)12-4-3-7-25-18(12)23/h3-7,11,14,24H,8-10H2,1-2H3,(H2,23,25)/t14-/m1/s1.
What are the key properties of (2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone?
(2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 393.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 24995356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).