3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)-1,2-dihydropyrrol-5-one

C29H28N6O — CID 10299263

IUPAC3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)-1,2-dihydropyrrol-5-one
SMILESCN(C)CCCn1nc(C2=C(c3cn(-c4cccnc4)c4ccccc34)C(=O)NC2)c2ccccc21
InChIInChI=1S/C29H28N6O/c1-33(2)15-8-16-35-26-13-6-4-11-22(26)28(32-35)23-18-31-29(36)27(23)24-19-34(20-9-7-14-30-17-20)25-12-5-3-10-21(24)25/h3-7,9-14,17,19H,8,15-16,18H2,1-2H3,(H,31,36)
InChIKeyOEYCXOSBRXNZRU-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.37
Rot. Bonds7

About 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)-1,2-dihydropyrrol-5-one

3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)-1,2-dihydropyrrol-5-one (PubChem CID 10299263) has the molecular formula C29H28N6O and a molecular weight of 476.58 g/mol. Its IUPAC name is 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)-1,2-dihydropyrrol-5-one
PubChem CID10299263
Molecular FormulaC29H28N6O
Molecular Weight476.58 g/mol
Exact Mass476.23
IUPAC Name3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)-1,2-dihydropyrrol-5-one
SMILESCN(C)CCCn1nc(C2=C(c3cn(-c4cccnc4)c4ccccc34)C(=O)NC2)c2ccccc21
InChIInChI=1S/C29H28N6O/c1-33(2)15-8-16-35-26-13-6-4-11-22(26)28(32-35)23-18-31-29(36)27(23)24-19-34(20-9-7-14-30-17-20)25-12-5-3-10-21(24)25/h3-7,9-14,17,19H,8,15-16,18H2,1-2H3,(H,31,36)
InChIKeyOEYCXOSBRXNZRU-UHFFFAOYSA-N
XLogP4.37
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)-1,2-dihydropyrrol-5-one (CID 10299263) is 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)-1,2-dihydropyrrol-5-one is CN(C)CCCn1nc(C2=C(c3cn(-c4cccnc4)c4ccccc34)C(=O)NC2)c2ccccc21.
What is the InChIKey of 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)-1,2-dihydropyrrol-5-one?
The InChIKey is OEYCXOSBRXNZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O/c1-33(2)15-8-16-35-26-13-6-4-11-22(26)28(32-35)23-18-31-29(36)27(23)24-19-34(20-9-7-14-30-17-20)25-12-5-3-10-21(24)25/h3-7,9-14,17,19H,8,15-16,18H2,1-2H3,(H,31,36).
What are the key properties of 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)-1,2-dihydropyrrol-5-one?
3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)-1,2-dihydropyrrol-5-one has a molecular weight of 476.58 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 10299263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).