N-[[(1R,2S,8R,9S)-11-cyclopentyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide

C22H33N5O2 — CID 171915252

IUPACN-[[(1R,2S,8R,9S)-11-cyclopentyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)NC[C@H]2[C@H]3C[C@H](CN(C4CCCC4)C3)[C@@H]3CCCC(=O)N32)[nH]1
InChIInChI=1S/C22H33N5O2/c1-14-23-10-18(25-14)22(29)24-11-20-16-9-15(19-7-4-8-21(28)27(19)20)12-26(13-16)17-5-2-3-6-17/h10,15-17,19-20H,2-9,11-13H2,1H3,(H,23,25)(H,24,29)/t15-,16+,19+,20+/m1/s1
InChIKeyPQCZJDCKYQCSGJ-LPWQTFTOSA-N
MW399.54 g/mol
LogP2.09
Rot. Bonds4

About N-[[(1R,2S,8R,9S)-11-cyclopentyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide

N-[[(1R,2S,8R,9S)-11-cyclopentyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide (PubChem CID 171915252) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[[(1R,2S,8R,9S)-11-cyclopentyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(1R,2S,8R,9S)-11-cyclopentyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide
PubChem CID171915252
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC NameN-[[(1R,2S,8R,9S)-11-cyclopentyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)NC[C@H]2[C@H]3C[C@H](CN(C4CCCC4)C3)[C@@H]3CCCC(=O)N32)[nH]1
InChIInChI=1S/C22H33N5O2/c1-14-23-10-18(25-14)22(29)24-11-20-16-9-15(19-7-4-8-21(28)27(19)20)12-26(13-16)17-5-2-3-6-17/h10,15-17,19-20H,2-9,11-13H2,1H3,(H,23,25)(H,24,29)/t15-,16+,19+,20+/m1/s1
InChIKeyPQCZJDCKYQCSGJ-LPWQTFTOSA-N
XLogP2.09
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(1R,2S,8R,9S)-11-cyclopentyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide with MolForge

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Related Compounds

2,3-dimethyl-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]imidazo[4,5-b]pyridine-7-carboxamide;dihydrochloride
CID 171324997
N-[[(1R,2S,8R,9S)-11-(3-hydroxypyridine-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]acetamide
CID 169421320
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]-1H-imidazole-5-carboxamide
CID 136525043
N-[[(1R,2S,8R,9S)-11-(9-methylpurin-2-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]acetamide
CID 169413181
6-methyl-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride
CID 171708490
6-[(1R,2S,8R,9S)-8-(acetamidomethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyrazine-2-carboxamide
CID 169417722
formic acid;N-[[(1R,2S,8R,9S)-11-[2-(5-methylpyrazol-1-yl)ethyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]acetamide
CID 171707502
methyl 2-[(1R,2S,8R,9S)-8-(acetamidomethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]pyridine-3-carboxylate
CID 169420339
2-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazole-5-carboxamide
CID 138993912
N-[[(1R,2S,8R,9S)-11-[4-(aminomethyl)benzoyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]acetamide
CID 169420034
2-(4-chlorophenyl)-N-[[(1R,2S,8R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]acetamide;hydrochloride
CID 171706757
N-[[(1R,2S,8R,9S)-11-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]acetamide
CID 169419720

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,8R,9S)-11-cyclopentyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-[[(1R,2S,8R,9S)-11-cyclopentyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide (CID 171915252) is N-[[(1R,2S,8R,9S)-11-cyclopentyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[[(1R,2S,8R,9S)-11-cyclopentyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[[(1R,2S,8R,9S)-11-cyclopentyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide is Cc1ncc(C(=O)NC[C@H]2[C@H]3C[C@H](CN(C4CCCC4)C3)[C@@H]3CCCC(=O)N32)[nH]1.
What is the InChIKey of N-[[(1R,2S,8R,9S)-11-cyclopentyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide?
The InChIKey is PQCZJDCKYQCSGJ-LPWQTFTOSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-14-23-10-18(25-14)22(29)24-11-20-16-9-15(19-7-4-8-21(28)27(19)20)12-26(13-16)17-5-2-3-6-17/h10,15-17,19-20H,2-9,11-13H2,1H3,(H,23,25)(H,24,29)/t15-,16+,19+,20+/m1/s1.
What are the key properties of N-[[(1R,2S,8R,9S)-11-cyclopentyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide?
N-[[(1R,2S,8R,9S)-11-cyclopentyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S,8R,9S)-11-cyclopentyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-2-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 171915252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).