formaldehyde;[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone

C26H27N3O2 — CID 174951515

IUPACformaldehyde;[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
SMILESC=O.CN1CCCC1c1ccc(C(=O)N2CCc3c(-c4ccccc4)cccc32)nc1
InChIInChI=1S/C25H25N3O.CH2O/c1-27-15-6-11-23(27)19-12-13-22(26-17-19)25(29)28-16-14-21-20(9-5-10-24(21)28)18-7-3-2-4-8-18;1-2/h2-5,7-10,12-13,17,23H,6,11,14-16H2,1H3;1H2
InChIKeyKVIHHAINLYYGIW-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.53
Rot. Bonds3

About formaldehyde;[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone

formaldehyde;[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 174951515) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is formaldehyde;[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Nameformaldehyde;[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
PubChem CID174951515
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Nameformaldehyde;[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
SMILESC=O.CN1CCCC1c1ccc(C(=O)N2CCc3c(-c4ccccc4)cccc32)nc1
InChIInChI=1S/C25H25N3O.CH2O/c1-27-15-6-11-23(27)19-12-13-22(26-17-19)25(29)28-16-14-21-20(9-5-10-24(21)28)18-7-3-2-4-8-18;1-2/h2-5,7-10,12-13,17,23H,6,11,14-16H2,1H3;1H2
InChIKeyKVIHHAINLYYGIW-UHFFFAOYSA-N
XLogP4.53
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze formaldehyde;[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of formaldehyde;[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of formaldehyde;[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone (CID 174951515) is formaldehyde;[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for formaldehyde;[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for formaldehyde;[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone is C=O.CN1CCCC1c1ccc(C(=O)N2CCc3c(-c4ccccc4)cccc32)nc1.
What is the InChIKey of formaldehyde;[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is KVIHHAINLYYGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O.CH2O/c1-27-15-6-11-23(27)19-12-13-22(26-17-19)25(29)28-16-14-21-20(9-5-10-24(21)28)18-7-3-2-4-8-18;1-2/h2-5,7-10,12-13,17,23H,6,11,14-16H2,1H3;1H2.
What are the key properties of formaldehyde;[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone?
formaldehyde;[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 413.52 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 174951515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).