1-[(5-cyclopropyl-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one

C19H18F2N2O2 — CID 121361851

IUPAC1-[(5-cyclopropyl-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
SMILESC[C@H](O)c1cccc2c1C(F)(F)C(=O)N2Cc1cncc(C2CC2)c1
InChIInChI=1S/C19H18F2N2O2/c1-11(24)15-3-2-4-16-17(15)19(20,21)18(25)23(16)10-12-7-14(9-22-8-12)13-5-6-13/h2-4,7-9,11,13,24H,5-6,10H2,1H3/t11-/m0/s1
InChIKeyNLYCTGZEXJWQHX-NSHDSACASA-N
MW344.36 g/mol
LogP3.65
Rot. Bonds4

About 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one

1-[(5-cyclopropyl-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one (PubChem CID 121361851) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one.

Molecular Properties

Compound Name1-[(5-cyclopropyl-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
PubChem CID121361851
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name1-[(5-cyclopropyl-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
SMILESC[C@H](O)c1cccc2c1C(F)(F)C(=O)N2Cc1cncc(C2CC2)c1
InChIInChI=1S/C19H18F2N2O2/c1-11(24)15-3-2-4-16-17(15)19(20,21)18(25)23(16)10-12-7-14(9-22-8-12)13-5-6-13/h2-4,7-9,11,13,24H,5-6,10H2,1H3/t11-/m0/s1
InChIKeyNLYCTGZEXJWQHX-NSHDSACASA-N
XLogP3.65
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one?
The IUPAC name of 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one (CID 121361851) is 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one.
What is the SMILES notation for 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one?
The canonical SMILES for 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one is C[C@H](O)c1cccc2c1C(F)(F)C(=O)N2Cc1cncc(C2CC2)c1.
What is the InChIKey of 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one?
The InChIKey is NLYCTGZEXJWQHX-NSHDSACASA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-11(24)15-3-2-4-16-17(15)19(20,21)18(25)23(16)10-12-7-14(9-22-8-12)13-5-6-13/h2-4,7-9,11,13,24H,5-6,10H2,1H3/t11-/m0/s1.
What are the key properties of 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one?
1-[(5-cyclopropyl-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one has a molecular weight of 344.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-3-pyridinyl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one is sourced from PubChem (CID 121361851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).