5-methyl-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C20H21N5O2 — CID 154801011

IUPAC5-methyl-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC1CCc2[nH]nc(C(=O)Nc3ccc4nc5n(c(=O)c4c3)CCC5)c2C1
InChIInChI=1S/C20H21N5O2/c1-11-4-6-16-13(9-11)18(24-23-16)19(26)21-12-5-7-15-14(10-12)20(27)25-8-2-3-17(25)22-15/h5,7,10-11H,2-4,6,8-9H2,1H3,(H,21,26)(H,23,24)
InChIKeyVPDLODLBFPDSQN-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.44
Rot. Bonds2

About 5-methyl-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

5-methyl-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 154801011) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-methyl-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID154801011
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name5-methyl-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC1CCc2[nH]nc(C(=O)Nc3ccc4nc5n(c(=O)c4c3)CCC5)c2C1
InChIInChI=1S/C20H21N5O2/c1-11-4-6-16-13(9-11)18(24-23-16)19(26)21-12-5-7-15-14(10-12)20(27)25-8-2-3-17(25)22-15/h5,7,10-11H,2-4,6,8-9H2,1H3,(H,21,26)(H,23,24)
InChIKeyVPDLODLBFPDSQN-UHFFFAOYSA-N
XLogP2.44
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide with MolForge

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Related Compounds

4-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide
CID 46261345
3,4,5-trimethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
CID 46261313
N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)octanamide
CID 43072188
3-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
CID 24747964
N-(3-acetylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 9095690
2-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
CID 24748020
2-ethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
CID 46261327
5-bromo-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)furan-2-carboxamide
CID 4259168
N-(4-acetamidophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 26718308
2-chloro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)pyridine-3-carboxamide
CID 24791419
2-chloro-4-fluoro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
CID 46261315
N-(2-methoxyethyl)-N'-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)propanediamide
CID 20890280

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 154801011) is 5-methyl-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CC1CCc2[nH]nc(C(=O)Nc3ccc4nc5n(c(=O)c4c3)CCC5)c2C1.
What is the InChIKey of 5-methyl-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is VPDLODLBFPDSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-11-4-6-16-13(9-11)18(24-23-16)19(26)21-12-5-7-15-14(10-12)20(27)25-8-2-3-17(25)22-15/h5,7,10-11H,2-4,6,8-9H2,1H3,(H,21,26)(H,23,24).
What are the key properties of 5-methyl-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
5-methyl-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 154801011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).