(5R)-1-methyl-5-[8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carbonyl]pyrrolidin-2-one

C22H29N5O3 — CID 167844601

IUPAC(5R)-1-methyl-5-[8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carbonyl]pyrrolidin-2-one
SMILESCN1C(=O)CC[C@@H]1C(=O)N1CC2C3CCC(C2C1)N(C(=O)c1n[nH]c2c1CCC2)C3
InChIInChI=1S/C22H29N5O3/c1-25-18(7-8-19(25)28)21(29)26-10-14-12-5-6-17(15(14)11-26)27(9-12)22(30)20-13-3-2-4-16(13)23-24-20/h12,14-15,17-18H,2-11H2,1H3,(H,23,24)/t12?,14?,15?,17?,18-/m1/s1
InChIKeyNQFMECVRFUFVPC-QQCZURAOSA-N
MW411.51 g/mol
LogP0.83
Rot. Bonds2

About (5R)-1-methyl-5-[8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carbonyl]pyrrolidin-2-one

(5R)-1-methyl-5-[8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carbonyl]pyrrolidin-2-one (PubChem CID 167844601) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is (5R)-1-methyl-5-[8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-methyl-5-[8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carbonyl]pyrrolidin-2-one
PubChem CID167844601
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name(5R)-1-methyl-5-[8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carbonyl]pyrrolidin-2-one
SMILESCN1C(=O)CC[C@@H]1C(=O)N1CC2C3CCC(C2C1)N(C(=O)c1n[nH]c2c1CCC2)C3
InChIInChI=1S/C22H29N5O3/c1-25-18(7-8-19(25)28)21(29)26-10-14-12-5-6-17(15(14)11-26)27(9-12)22(30)20-13-3-2-4-16(13)23-24-20/h12,14-15,17-18H,2-11H2,1H3,(H,23,24)/t12?,14?,15?,17?,18-/m1/s1
InChIKeyNQFMECVRFUFVPC-QQCZURAOSA-N
XLogP0.83
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-1-methyl-5-[8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carbonyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methylpiperidin-3-yl)-[(1R,2S,6R,7S)-10-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]methanone
CID 146046744
(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 53017418
1-methyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazine-2-carboxylic acid
CID 56721335
(4aS,9aS)-4-propan-2-yl-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4a,5,6,8,9,9a-hexahydro-[1,4]oxazino[2,3-d]azepin-3-one
CID 110127022
[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 95752169
oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 134701735
4-ethyl-2-methyl-5-[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 95213380
[(2R,5S)-5-methyl-2-phenylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 97184797
(3-aminopyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 112708550
(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 154820175
(4-methylpiperidin-1-yl)-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methanone
CID 84583410
1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl-[(2R,5R)-5-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone
CID 100690716

Frequently Asked Questions

What is the IUPAC name of (5R)-1-methyl-5-[8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5R)-1-methyl-5-[8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carbonyl]pyrrolidin-2-one (CID 167844601) is (5R)-1-methyl-5-[8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-methyl-5-[8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-1-methyl-5-[8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carbonyl]pyrrolidin-2-one is CN1C(=O)CC[C@@H]1C(=O)N1CC2C3CCC(C2C1)N(C(=O)c1n[nH]c2c1CCC2)C3.
What is the InChIKey of (5R)-1-methyl-5-[8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carbonyl]pyrrolidin-2-one?
The InChIKey is NQFMECVRFUFVPC-QQCZURAOSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-25-18(7-8-19(25)28)21(29)26-10-14-12-5-6-17(15(14)11-26)27(9-12)22(30)20-13-3-2-4-16(13)23-24-20/h12,14-15,17-18H,2-11H2,1H3,(H,23,24)/t12?,14?,15?,17?,18-/m1/s1.
What are the key properties of (5R)-1-methyl-5-[8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carbonyl]pyrrolidin-2-one?
(5R)-1-methyl-5-[8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carbonyl]pyrrolidin-2-one has a molecular weight of 411.51 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-methyl-5-[8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 167844601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).