N-(cyclopropylmethyl)-1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide

C22H28N4OS — CID 134809965

IUPACN-(cyclopropylmethyl)-1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
SMILESCc1nc(CN2CC3(CCN(C)C3)c3cc(C(=O)NCC4CC4)ccc32)cs1
InChIInChI=1S/C22H28N4OS/c1-15-24-18(12-28-15)11-26-14-22(7-8-25(2)13-22)19-9-17(5-6-20(19)26)21(27)23-10-16-3-4-16/h5-6,9,12,16H,3-4,7-8,10-11,13-14H2,1-2H3,(H,23,27)
InChIKeyIMERUNOLXKHRRZ-UHFFFAOYSA-N
MW396.56 g/mol
LogP3.18
Rot. Bonds5

About N-(cyclopropylmethyl)-1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide

N-(cyclopropylmethyl)-1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide (PubChem CID 134809965) has the molecular formula C22H28N4OS and a molecular weight of 396.56 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
PubChem CID134809965
Molecular FormulaC22H28N4OS
Molecular Weight396.56 g/mol
Exact Mass396.20
IUPAC NameN-(cyclopropylmethyl)-1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
SMILESCc1nc(CN2CC3(CCN(C)C3)c3cc(C(=O)NCC4CC4)ccc32)cs1
InChIInChI=1S/C22H28N4OS/c1-15-24-18(12-28-15)11-26-14-22(7-8-25(2)13-22)19-9-17(5-6-20(19)26)21(27)23-10-16-3-4-16/h5-6,9,12,16H,3-4,7-8,10-11,13-14H2,1-2H3,(H,23,27)
InChIKeyIMERUNOLXKHRRZ-UHFFFAOYSA-N
XLogP3.18
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(cyclopropylmethyl)-1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide 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'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
CID 134809745
N-ethyl-1,1'-dimethylspiro[2H-indole-3,3'-piperidine]-5-carboxamide
CID 134805432
(5S)-N-(cyclopropylmethyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491239
1,1'-dimethyl-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide
CID 134806768
1-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 154858863
3-methyl-4-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55163251
4-acetyl-2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]benzonitrile
CID 133457998
N-(cyclopropylmethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 166214673
methyl 4-(1,1'-dimethylspiro[2H-indole-3,3'-pyrrolidine]-5-yl)but-3-enoate
CID 162287123
4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-nitro-N-propan-2-ylbenzamide
CID 30019503
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 63250806

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide (CID 134809965) is N-(cyclopropylmethyl)-1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide is Cc1nc(CN2CC3(CCN(C)C3)c3cc(C(=O)NCC4CC4)ccc32)cs1.
What is the InChIKey of N-(cyclopropylmethyl)-1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide?
The InChIKey is IMERUNOLXKHRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4OS/c1-15-24-18(12-28-15)11-26-14-22(7-8-25(2)13-22)19-9-17(5-6-20(19)26)21(27)23-10-16-3-4-16/h5-6,9,12,16H,3-4,7-8,10-11,13-14H2,1-2H3,(H,23,27).
What are the key properties of N-(cyclopropylmethyl)-1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide?
N-(cyclopropylmethyl)-1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide has a molecular weight of 396.56 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide is sourced from PubChem (CID 134809965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).