6-methoxy-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide

C20H19F3N4O2 — CID 99874841

IUPAC6-methoxy-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N[C@H]3CCN(c4ccc(C(F)(F)F)cn4)C3)[nH]c2c1
InChIInChI=1S/C20H19F3N4O2/c1-29-15-4-2-12-8-17(26-16(12)9-15)19(28)25-14-6-7-27(11-14)18-5-3-13(10-24-18)20(21,22)23/h2-5,8-10,14,26H,6-7,11H2,1H3,(H,25,28)/t14-/m0/s1
InChIKeyRBUJPHMFTZENPA-AWEZNQCLSA-N
MW404.39 g/mol
LogP3.60
Rot. Bonds4

About 6-methoxy-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide

6-methoxy-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide (PubChem CID 99874841) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 6-methoxy-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide
PubChem CID99874841
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name6-methoxy-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N[C@H]3CCN(c4ccc(C(F)(F)F)cn4)C3)[nH]c2c1
InChIInChI=1S/C20H19F3N4O2/c1-29-15-4-2-12-8-17(26-16(12)9-15)19(28)25-14-6-7-27(11-14)18-5-3-13(10-24-18)20(21,22)23/h2-5,8-10,14,26H,6-7,11H2,1H3,(H,25,28)/t14-/m0/s1
InChIKeyRBUJPHMFTZENPA-AWEZNQCLSA-N
XLogP3.60
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide (CID 99874841) is 6-methoxy-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)N[C@H]3CCN(c4ccc(C(F)(F)F)cn4)C3)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is RBUJPHMFTZENPA-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-29-15-4-2-12-8-17(26-16(12)9-15)19(28)25-14-6-7-27(11-14)18-5-3-13(10-24-18)20(21,22)23/h2-5,8-10,14,26H,6-7,11H2,1H3,(H,25,28)/t14-/m0/s1.
What are the key properties of 6-methoxy-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide?
6-methoxy-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 99874841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).