N-[1-[5-[[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,1-dimethyl-5-oxopiperazine-2-carboxamide

C25H30F3N5O2 — CID 170330739

IUPACN-[1-[5-[[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,1-dimethyl-5-oxopiperazine-2-carboxamide
SMILESCN1CC(=O)NCC1C(=O)N(C)C(c1ccc(N[C@@H]2Cc3ccccc3C2(C)C)cn1)C(F)(F)F
InChIInChI=1S/C25H30F3N5O2/c1-24(2)17-8-6-5-7-15(17)11-20(24)31-16-9-10-18(29-12-16)22(25(26,27)28)33(4)23(35)19-13-30-21(34)14-32(19)3/h5-10,12,19-20,22,31H,11,13-14H2,1-4H3,(H,30,34)/t19?,20-,22?/m1/s1
InChIKeyIBSSAXQUWMBBRE-SNCIUUNGSA-N
MW489.54 g/mol
LogP2.89
Rot. Bonds5

About N-[1-[5-[[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,1-dimethyl-5-oxopiperazine-2-carboxamide

N-[1-[5-[[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,1-dimethyl-5-oxopiperazine-2-carboxamide (PubChem CID 170330739) has the molecular formula C25H30F3N5O2 and a molecular weight of 489.54 g/mol. Its IUPAC name is N-[1-[5-[[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,1-dimethyl-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[5-[[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,1-dimethyl-5-oxopiperazine-2-carboxamide
PubChem CID170330739
Molecular FormulaC25H30F3N5O2
Molecular Weight489.54 g/mol
Exact Mass489.24
IUPAC NameN-[1-[5-[[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,1-dimethyl-5-oxopiperazine-2-carboxamide
SMILESCN1CC(=O)NCC1C(=O)N(C)C(c1ccc(N[C@@H]2Cc3ccccc3C2(C)C)cn1)C(F)(F)F
InChIInChI=1S/C25H30F3N5O2/c1-24(2)17-8-6-5-7-15(17)11-20(24)31-16-9-10-18(29-12-16)22(25(26,27)28)33(4)23(35)19-13-30-21(34)14-32(19)3/h5-10,12,19-20,22,31H,11,13-14H2,1-4H3,(H,30,34)/t19?,20-,22?/m1/s1
InChIKeyIBSSAXQUWMBBRE-SNCIUUNGSA-N
XLogP2.89
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[5-[[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,1-dimethyl-5-oxopiperazine-2-carboxamide with MolForge

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Related Compounds

CID 11547430
CID 11547430
CID 11576272
CID 11576272
CID 11605341
CID 11605341
CID 11669836
CID 11669836
CID 56949907
CID 56949907
CID 56950040
CID 56950040
CID 56950042
CID 56950042
CID 56950168
CID 56950168
CID 56950170
CID 56950170
CID 56950311
CID 56950311
CID 10094623
CID 10094623
CID 56949905
CID 56949905

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,1-dimethyl-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[1-[5-[[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,1-dimethyl-5-oxopiperazine-2-carboxamide (CID 170330739) is N-[1-[5-[[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,1-dimethyl-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[1-[5-[[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,1-dimethyl-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[1-[5-[[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,1-dimethyl-5-oxopiperazine-2-carboxamide is CN1CC(=O)NCC1C(=O)N(C)C(c1ccc(N[C@@H]2Cc3ccccc3C2(C)C)cn1)C(F)(F)F.
What is the InChIKey of N-[1-[5-[[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,1-dimethyl-5-oxopiperazine-2-carboxamide?
The InChIKey is IBSSAXQUWMBBRE-SNCIUUNGSA-N. The full InChI is InChI=1S/C25H30F3N5O2/c1-24(2)17-8-6-5-7-15(17)11-20(24)31-16-9-10-18(29-12-16)22(25(26,27)28)33(4)23(35)19-13-30-21(34)14-32(19)3/h5-10,12,19-20,22,31H,11,13-14H2,1-4H3,(H,30,34)/t19?,20-,22?/m1/s1.
What are the key properties of N-[1-[5-[[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,1-dimethyl-5-oxopiperazine-2-carboxamide?
N-[1-[5-[[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,1-dimethyl-5-oxopiperazine-2-carboxamide has a molecular weight of 489.54 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,1-dimethyl-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 170330739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).