(2S)-4-[(7-chlorofuro[3,2-c]pyridin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

C15H16ClF3N4O2 — CID 59108736

IUPAC(2S)-4-[(7-chlorofuro[3,2-c]pyridin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESO=C(NCC(F)(F)F)[C@@H]1CN(Cc2cc3cncc(Cl)c3o2)CCN1
InChIInChI=1S/C15H16ClF3N4O2/c16-11-5-20-4-9-3-10(25-13(9)11)6-23-2-1-21-12(7-23)14(24)22-8-15(17,18)19/h3-5,12,21H,1-2,6-8H2,(H,22,24)/t12-/m0/s1
InChIKeyYROXSHFSEXYVBM-LBPRGKRZSA-N
MW376.77 g/mol
LogP1.93
Rot. Bonds4

About (2S)-4-[(7-chlorofuro[3,2-c]pyridin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

(2S)-4-[(7-chlorofuro[3,2-c]pyridin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (PubChem CID 59108736) has the molecular formula C15H16ClF3N4O2 and a molecular weight of 376.77 g/mol. Its IUPAC name is (2S)-4-[(7-chlorofuro[3,2-c]pyridin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[(7-chlorofuro[3,2-c]pyridin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
PubChem CID59108736
Molecular FormulaC15H16ClF3N4O2
Molecular Weight376.77 g/mol
Exact Mass376.09
IUPAC Name(2S)-4-[(7-chlorofuro[3,2-c]pyridin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESO=C(NCC(F)(F)F)[C@@H]1CN(Cc2cc3cncc(Cl)c3o2)CCN1
InChIInChI=1S/C15H16ClF3N4O2/c16-11-5-20-4-9-3-10(25-13(9)11)6-23-2-1-21-12(7-23)14(24)22-8-15(17,18)19/h3-5,12,21H,1-2,6-8H2,(H,22,24)/t12-/m0/s1
InChIKeyYROXSHFSEXYVBM-LBPRGKRZSA-N
XLogP1.93
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.77
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(7-chlorofuro[3,2-c]pyridin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-4-[(7-chlorofuro[3,2-c]pyridin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (CID 59108736) is (2S)-4-[(7-chlorofuro[3,2-c]pyridin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-[(7-chlorofuro[3,2-c]pyridin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-4-[(7-chlorofuro[3,2-c]pyridin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is O=C(NCC(F)(F)F)[C@@H]1CN(Cc2cc3cncc(Cl)c3o2)CCN1.
What is the InChIKey of (2S)-4-[(7-chlorofuro[3,2-c]pyridin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The InChIKey is YROXSHFSEXYVBM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16ClF3N4O2/c16-11-5-20-4-9-3-10(25-13(9)11)6-23-2-1-21-12(7-23)14(24)22-8-15(17,18)19/h3-5,12,21H,1-2,6-8H2,(H,22,24)/t12-/m0/s1.
What are the key properties of (2S)-4-[(7-chlorofuro[3,2-c]pyridin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
(2S)-4-[(7-chlorofuro[3,2-c]pyridin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide has a molecular weight of 376.77 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(7-chlorofuro[3,2-c]pyridin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is sourced from PubChem (CID 59108736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).