N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

C24H25N5O3 — CID 163092294

IUPACN-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESO=C(NCCN1CC2CC(C1)c1cccc(=O)n1C2)c1[nH]nc2c1COc1ccccc1-2
InChIInChI=1S/C24H25N5O3/c30-21-7-3-5-19-16-10-15(12-29(19)21)11-28(13-16)9-8-25-24(31)23-18-14-32-20-6-2-1-4-17(20)22(18)26-27-23/h1-7,15-16H,8-14H2,(H,25,31)(H,26,27)
InChIKeyOBBGAEJNJUYPTP-UHFFFAOYSA-N
MW431.50 g/mol
LogP1.98
Rot. Bonds4

About N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (PubChem CID 163092294) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
PubChem CID163092294
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC NameN-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESO=C(NCCN1CC2CC(C1)c1cccc(=O)n1C2)c1[nH]nc2c1COc1ccccc1-2
InChIInChI=1S/C24H25N5O3/c30-21-7-3-5-19-16-10-15(12-29(19)21)11-28(13-16)9-8-25-24(31)23-18-14-32-20-6-2-1-4-17(20)22(18)26-27-23/h1-7,15-16H,8-14H2,(H,25,31)(H,26,27)
InChIKeyOBBGAEJNJUYPTP-UHFFFAOYSA-N
XLogP1.98
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide with MolForge

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Related Compounds

5-(furan-2-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 163011485
N-(3-piperidin-1-ylpropyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 20954247
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 20954207
N-[2-(1H-imidazol-5-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 20954237
N-(1-benzylpiperidin-4-yl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 20954218
(2R)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 171157887
N-[2-[4-(dimethylamino)phenyl]ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 46981456
N-(thiophen-2-ylmethyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 71802842
N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 171152632
N-(1-hydroxypropan-2-yl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 91821763
5,6-dimethoxy-1-methyl-N-[2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]indole-2-carboxamide
CID 125430795
11-[[(1S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 171157233

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (CID 163092294) is N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is O=C(NCCN1CC2CC(C1)c1cccc(=O)n1C2)c1[nH]nc2c1COc1ccccc1-2.
What is the InChIKey of N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The InChIKey is OBBGAEJNJUYPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c30-21-7-3-5-19-16-10-15(12-29(19)21)11-28(13-16)9-8-25-24(31)23-18-14-32-20-6-2-1-4-17(20)22(18)26-27-23/h1-7,15-16H,8-14H2,(H,25,31)(H,26,27).
What are the key properties of N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 163092294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).