N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-piperidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide

About N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-piperidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide

N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-piperidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide (PubChem CID 24742416) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-piperidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide.

Molecular Properties

Compound Name	N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-piperidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide
PubChem CID	24742416
Molecular Formula	C25H29N5O3
Molecular Weight	447.54 g/mol
Exact Mass	447.23
IUPAC Name	N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-piperidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide
SMILES	Cc1c(/C=C2\C(=O)Nc3ccc(NC=O)cc32)[nH]c2c1C(=O)N(CCN1CCCCC1)CC2
InChI	InChI=1S/C25H29N5O3/c1-16-22(14-19-18-13-17(26-15-31)5-6-20(18)28-24(19)32)27-21-7-10-30(25(33)23(16)21)12-11-29-8-3-2-4-9-29/h5-6,13-15,27H,2-4,7-12H2,1H3,(H,26,31)(H,28,32)/b19-14-
InChIKey	XUIMSTXICNZAAZ-RGEXLXHISA-N
XLogP	2.87
TPSA	97.54 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-piperidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide?

The IUPAC name of N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-piperidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide (CID 24742416) is N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-piperidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide.

What is the SMILES notation for N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-piperidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide?

The canonical SMILES for N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-piperidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide is Cc1c(/C=C2\C(=O)Nc3ccc(NC=O)cc32)[nH]c2c1C(=O)N(CCN1CCCCC1)CC2.

What is the InChIKey of N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-piperidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide?

The InChIKey is XUIMSTXICNZAAZ-RGEXLXHISA-N. The full InChI is InChI=1S/C25H29N5O3/c1-16-22(14-19-18-13-17(26-15-31)5-6-20(18)28-24(19)32)27-21-7-10-30(25(33)23(16)21)12-11-29-8-3-2-4-9-29/h5-6,13-15,27H,2-4,7-12H2,1H3,(H,26,31)(H,28,32)/b19-14-.

What are the key properties of N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-piperidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide?

N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-piperidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide has a molecular weight of 447.54 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-piperidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide is sourced from PubChem (CID 24742416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).