N-[(7R)-9-[2-(dimethylamino)ethyl]-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

C29H36N8O3 — CID 11977970

IUPACN-[(7R)-9-[2-(dimethylamino)ethyl]-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
SMILESCN(C)CCN1Cc2c(ccc3[nH]ncc23)C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C1=O
InChIInChI=1S/C29H36N8O3/c1-34(2)13-14-36-18-23-19(7-8-25-22(23)16-30-33-25)15-26(27(36)38)32-28(39)35-11-9-21(10-12-35)37-17-20-5-3-4-6-24(20)31-29(37)40/h3-8,16,21,26H,9-15,17-18H2,1-2H3,(H,30,33)(H,31,40)(H,32,39)/t26-/m1/s1
InChIKeyMQVMOXPAMPTMCW-AREMUKBSSA-N
MW544.66 g/mol
LogP2.60
Rot. Bonds5

About N-[(7R)-9-[2-(dimethylamino)ethyl]-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

N-[(7R)-9-[2-(dimethylamino)ethyl]-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide (PubChem CID 11977970) has the molecular formula C29H36N8O3 and a molecular weight of 544.66 g/mol. Its IUPAC name is N-[(7R)-9-[2-(dimethylamino)ethyl]-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(7R)-9-[2-(dimethylamino)ethyl]-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
PubChem CID11977970
Molecular FormulaC29H36N8O3
Molecular Weight544.66 g/mol
Exact Mass544.29
IUPAC NameN-[(7R)-9-[2-(dimethylamino)ethyl]-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
SMILESCN(C)CCN1Cc2c(ccc3[nH]ncc23)C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C1=O
InChIInChI=1S/C29H36N8O3/c1-34(2)13-14-36-18-23-19(7-8-25-22(23)16-30-33-25)15-26(27(36)38)32-28(39)35-11-9-21(10-12-35)37-17-20-5-3-4-6-24(20)31-29(37)40/h3-8,16,21,26H,9-15,17-18H2,1-2H3,(H,30,33)(H,31,40)(H,32,39)/t26-/m1/s1
InChIKeyMQVMOXPAMPTMCW-AREMUKBSSA-N
XLogP2.60
TPSA116.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.66
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(7R)-9-[2-(dimethylamino)ethyl]-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(7R)-9-[2-(dimethylamino)ethyl]-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(7R)-9-[2-(dimethylamino)ethyl]-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide (CID 11977970) is N-[(7R)-9-[2-(dimethylamino)ethyl]-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(7R)-9-[2-(dimethylamino)ethyl]-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(7R)-9-[2-(dimethylamino)ethyl]-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide is CN(C)CCN1Cc2c(ccc3[nH]ncc23)C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C1=O.
What is the InChIKey of N-[(7R)-9-[2-(dimethylamino)ethyl]-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
The InChIKey is MQVMOXPAMPTMCW-AREMUKBSSA-N. The full InChI is InChI=1S/C29H36N8O3/c1-34(2)13-14-36-18-23-19(7-8-25-22(23)16-30-33-25)15-26(27(36)38)32-28(39)35-11-9-21(10-12-35)37-17-20-5-3-4-6-24(20)31-29(37)40/h3-8,16,21,26H,9-15,17-18H2,1-2H3,(H,30,33)(H,31,40)(H,32,39)/t26-/m1/s1.
What are the key properties of N-[(7R)-9-[2-(dimethylamino)ethyl]-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide?
N-[(7R)-9-[2-(dimethylamino)ethyl]-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide has a molecular weight of 544.66 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7R)-9-[2-(dimethylamino)ethyl]-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11977970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).