(2S,4R)-N-[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide

C24H29F3N4O2 — CID 170331541

IUPAC(2S,4R)-N-[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESCN(C(=O)[C@@H]1C[C@@H](O)CN1)C(c1ccc(N[C@H]2Cc3ccccc3C2(C)C)cn1)C(F)(F)F
InChIInChI=1S/C24H29F3N4O2/c1-23(2)17-7-5-4-6-14(17)10-20(23)30-15-8-9-18(28-12-15)21(24(25,26)27)31(3)22(33)19-11-16(32)13-29-19/h4-9,12,16,19-21,29-30,32H,10-11,13H2,1-3H3/t16-,19+,20+,21?/m1/s1
InChIKeyKRFZEAUQDVBWEM-JRAZBQLBSA-N
MW462.52 g/mol
LogP3.18
Rot. Bonds5

About (2S,4R)-N-[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide

(2S,4R)-N-[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide (PubChem CID 170331541) has the molecular formula C24H29F3N4O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is (2S,4R)-N-[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
PubChem CID170331541
Molecular FormulaC24H29F3N4O2
Molecular Weight462.52 g/mol
Exact Mass462.22
IUPAC Name(2S,4R)-N-[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESCN(C(=O)[C@@H]1C[C@@H](O)CN1)C(c1ccc(N[C@H]2Cc3ccccc3C2(C)C)cn1)C(F)(F)F
InChIInChI=1S/C24H29F3N4O2/c1-23(2)17-7-5-4-6-14(17)10-20(23)30-15-8-9-18(28-12-15)21(24(25,26)27)31(3)22(33)19-11-16(32)13-29-19/h4-9,12,16,19-21,29-30,32H,10-11,13H2,1-3H3/t16-,19+,20+,21?/m1/s1
InChIKeyKRFZEAUQDVBWEM-JRAZBQLBSA-N
XLogP3.18
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,4R)-N-[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide (CID 170331541) is (2S,4R)-N-[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide is CN(C(=O)[C@@H]1C[C@@H](O)CN1)C(c1ccc(N[C@H]2Cc3ccccc3C2(C)C)cn1)C(F)(F)F.
What is the InChIKey of (2S,4R)-N-[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The InChIKey is KRFZEAUQDVBWEM-JRAZBQLBSA-N. The full InChI is InChI=1S/C24H29F3N4O2/c1-23(2)17-7-5-4-6-14(17)10-20(23)30-15-8-9-18(28-12-15)21(24(25,26)27)31(3)22(33)19-11-16(32)13-29-19/h4-9,12,16,19-21,29-30,32H,10-11,13H2,1-3H3/t16-,19+,20+,21?/m1/s1.
What are the key properties of (2S,4R)-N-[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
(2S,4R)-N-[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide has a molecular weight of 462.52 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 170331541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).