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

C34H37N7O2 — CID 89320109

IUPACN-[(7R)-8-methylidene-9-[(1S)-1-phenylethyl]-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
SMILESC=C1[C@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)Cc2ccc3[nH]ncc3c2CN1[C@@H](C)c1ccccc1
InChIInChI=1S/C34H37N7O2/c1-22(24-8-4-3-5-9-24)40-21-29-25(12-13-31-28(29)19-35-38-31)18-32(23(40)2)37-33(42)39-16-14-27(15-17-39)41-20-26-10-6-7-11-30(26)36-34(41)43/h3-13,19,22,27,32H,2,14-18,20-21H2,1H3,(H,35,38)(H,36,43)(H,37,42)/t22-,32+/m0/s1
InChIKeyMDWKRSQYYBNINT-GHRAFVERSA-N
MW575.72 g/mol
LogP5.79
Rot. Bonds4

About N-[(7R)-8-methylidene-9-[(1S)-1-phenylethyl]-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)-8-methylidene-9-[(1S)-1-phenylethyl]-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 89320109) has the molecular formula C34H37N7O2 and a molecular weight of 575.72 g/mol. Its IUPAC name is N-[(7R)-8-methylidene-9-[(1S)-1-phenylethyl]-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)-8-methylidene-9-[(1S)-1-phenylethyl]-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
PubChem CID89320109
Molecular FormulaC34H37N7O2
Molecular Weight575.72 g/mol
Exact Mass575.30
IUPAC NameN-[(7R)-8-methylidene-9-[(1S)-1-phenylethyl]-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
SMILESC=C1[C@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)Cc2ccc3[nH]ncc3c2CN1[C@@H](C)c1ccccc1
InChIInChI=1S/C34H37N7O2/c1-22(24-8-4-3-5-9-24)40-21-29-25(12-13-31-28(29)19-35-38-31)18-32(23(40)2)37-33(42)39-16-14-27(15-17-39)41-20-26-10-6-7-11-30(26)36-34(41)43/h3-13,19,22,27,32H,2,14-18,20-21H2,1H3,(H,35,38)(H,36,43)(H,37,42)/t22-,32+/m0/s1
InChIKeyMDWKRSQYYBNINT-GHRAFVERSA-N
XLogP5.79
TPSA96.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.72
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(7R)-8-methylidene-9-[(1S)-1-phenylethyl]-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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Related Compounds

N-[(7R)-8-methylidene-9-[(1R)-1-phenylethyl]-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 118183292
4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(7R)-8-oxo-9-propan-2-yl-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]piperidine-1-carboxamide
CID 24782724
N-[(7R)-9-methyl-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 11977861
4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(7R)-8-oxo-9-(2-piperidin-1-ylethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]piperidine-1-carboxamide
CID 11977862
tert-butyl 3-[(7R)-8-oxo-7-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-9-yl]pyrrolidine-1-carboxylate
CID 59731947
4-(2-oxo-1,4-dihydroquinazolin-3-yl)-N-[8-oxo-9-(2-pyridin-4-ylethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]piperidine-1-carboxamide
CID 11979013
N-[(7R)-9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(3-oxo-1,4-dihydroisoquinolin-2-yl)piperidine-1-carboxamide
CID 59731868
N-cyano-N'-[9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboximidamide
CID 11977641
benzyl N-[(7R)-8-oxo-9-propan-2-yl-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]carbamate
CID 59732012
N-(2-methyl-3-oxo-8-phenylmethoxy-4,5-dihydro-1H-2-benzazepin-4-yl)-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11978197
N-[(2R)-3-(1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 24863333
N-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 71055645

Frequently Asked Questions

What is the IUPAC name of N-[(7R)-8-methylidene-9-[(1S)-1-phenylethyl]-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)-8-methylidene-9-[(1S)-1-phenylethyl]-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide (CID 89320109) is N-[(7R)-8-methylidene-9-[(1S)-1-phenylethyl]-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)-8-methylidene-9-[(1S)-1-phenylethyl]-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)-8-methylidene-9-[(1S)-1-phenylethyl]-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide is C=C1[C@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)Cc2ccc3[nH]ncc3c2CN1[C@@H](C)c1ccccc1.
What is the InChIKey of N-[(7R)-8-methylidene-9-[(1S)-1-phenylethyl]-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 MDWKRSQYYBNINT-GHRAFVERSA-N. The full InChI is InChI=1S/C34H37N7O2/c1-22(24-8-4-3-5-9-24)40-21-29-25(12-13-31-28(29)19-35-38-31)18-32(23(40)2)37-33(42)39-16-14-27(15-17-39)41-20-26-10-6-7-11-30(26)36-34(41)43/h3-13,19,22,27,32H,2,14-18,20-21H2,1H3,(H,35,38)(H,36,43)(H,37,42)/t22-,32+/m0/s1.
What are the key properties of N-[(7R)-8-methylidene-9-[(1S)-1-phenylethyl]-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)-8-methylidene-9-[(1S)-1-phenylethyl]-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 575.72 g/mol, XLogP of 5.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7R)-8-methylidene-9-[(1S)-1-phenylethyl]-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 89320109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).