1-[3-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one

C29H32F3N7O2 — CID 119098936

IUPAC1-[3-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)CCN4CCCC4=O)CC3)nc2)c1
InChIInChI=1S/C29H32F3N7O2/c1-19-15-23(36-26(16-19)37-25-17-21(6-10-33-25)29(30,31)32)20-4-5-24(34-18-20)35-22-7-12-39(13-8-22)28(41)9-14-38-11-2-3-27(38)40/h4-6,10,15-18,22H,2-3,7-9,11-14H2,1H3,(H,34,35)(H,33,36,37)
InChIKeyOYMOXGZPWBENTF-UHFFFAOYSA-N
MW567.62 g/mol
LogP5.02
Rot. Bonds8

About 1-[3-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one

1-[3-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one (PubChem CID 119098936) has the molecular formula C29H32F3N7O2 and a molecular weight of 567.62 g/mol. Its IUPAC name is 1-[3-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
PubChem CID119098936
Molecular FormulaC29H32F3N7O2
Molecular Weight567.62 g/mol
Exact Mass567.26
IUPAC Name1-[3-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)CCN4CCCC4=O)CC3)nc2)c1
InChIInChI=1S/C29H32F3N7O2/c1-19-15-23(36-26(16-19)37-25-17-21(6-10-33-25)29(30,31)32)20-4-5-24(34-18-20)35-22-7-12-39(13-8-22)28(41)9-14-38-11-2-3-27(38)40/h4-6,10,15-18,22H,2-3,7-9,11-14H2,1H3,(H,34,35)(H,33,36,37)
InChIKeyOYMOXGZPWBENTF-UHFFFAOYSA-N
XLogP5.02
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.62
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[3-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one (CID 119098936) is 1-[3-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)CCN4CCCC4=O)CC3)nc2)c1.
What is the InChIKey of 1-[3-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The InChIKey is OYMOXGZPWBENTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N7O2/c1-19-15-23(36-26(16-19)37-25-17-21(6-10-33-25)29(30,31)32)20-4-5-24(34-18-20)35-22-7-12-39(13-8-22)28(41)9-14-38-11-2-3-27(38)40/h4-6,10,15-18,22H,2-3,7-9,11-14H2,1H3,(H,34,35)(H,33,36,37).
What are the key properties of 1-[3-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
1-[3-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one has a molecular weight of 567.62 g/mol, XLogP of 5.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one is sourced from PubChem (CID 119098936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).