N-[1-(cyclopropylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-5-methylpyrazolidine-3-carboxamide

C21H30N4O2 — CID 134074322

IUPACN-[1-(cyclopropylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-5-methylpyrazolidine-3-carboxamide
SMILESCC1CC(C(=O)Nc2ccc3c(c2)C2(CCOCC2)CN3CC2CC2)NN1
InChIInChI=1S/C21H30N4O2/c1-14-10-18(24-23-14)20(26)22-16-4-5-19-17(11-16)21(6-8-27-9-7-21)13-25(19)12-15-2-3-15/h4-5,11,14-15,18,23-24H,2-3,6-10,12-13H2,1H3,(H,22,26)
InChIKeyVFTXWENHECPRKC-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.16
Rot. Bonds4

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

N-[1-(cyclopropylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-5-methylpyrazolidine-3-carboxamide (PubChem CID 134074322) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-5-methylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-5-methylpyrazolidine-3-carboxamide
PubChem CID134074322
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[1-(cyclopropylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-5-methylpyrazolidine-3-carboxamide
SMILESCC1CC(C(=O)Nc2ccc3c(c2)C2(CCOCC2)CN3CC2CC2)NN1
InChIInChI=1S/C21H30N4O2/c1-14-10-18(24-23-14)20(26)22-16-4-5-19-17(11-16)21(6-8-27-9-7-21)13-25(19)12-15-2-3-15/h4-5,11,14-15,18,23-24H,2-3,6-10,12-13H2,1H3,(H,22,26)
InChIKeyVFTXWENHECPRKC-UHFFFAOYSA-N
XLogP2.16
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(oxolan-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]acetamide
CID 134074323
(3S)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-3-carboxamide
CID 97409703
N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-2-methylpropanamide
CID 97401206
N-(1-ethylsulfonylspiro[2H-indole-3,4'-oxane]-5-yl)-2-methoxyacetamide
CID 97401229
N-(3-hydroxypropyl)-1'-methyl-1-(oxan-4-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
CID 134808469
1-(cyclopropylmethyl)-1'-methyl-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
CID 134807365
5-cyclopropyl-N-(1,3-dihydro-2-benzofuran-5-yl)pyrazolidine-3-carboxamide
CID 74588297
N-(1-pyridin-3-ylspiro[2H-indole-3,4'-oxane]-5-yl)cyclopent-3-ene-1-carboxamide
CID 134079469
N-(3-chlorophenyl)-2-spiro[2H-indole-3,4'-oxane]-1-ylacetamide
CID 119048773
5-cyclopropyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]pyrazolidine-3-carboxamide
CID 75614179
5-cyclopropyl-N-[4-(morpholine-4-carbonyl)phenyl]pyrazolidine-3-carboxamide
CID 74583245
N-[4-[1-(2-methylbutanoyl)spiro[2H-indole-3,4'-oxane]-5-yl]phenyl]acetamide
CID 131682351

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-5-methylpyrazolidine-3-carboxamide?
The IUPAC name of N-[1-(cyclopropylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-5-methylpyrazolidine-3-carboxamide (CID 134074322) is N-[1-(cyclopropylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-5-methylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-5-methylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-5-methylpyrazolidine-3-carboxamide is CC1CC(C(=O)Nc2ccc3c(c2)C2(CCOCC2)CN3CC2CC2)NN1.
What is the InChIKey of N-[1-(cyclopropylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-5-methylpyrazolidine-3-carboxamide?
The InChIKey is VFTXWENHECPRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-14-10-18(24-23-14)20(26)22-16-4-5-19-17(11-16)21(6-8-27-9-7-21)13-25(19)12-15-2-3-15/h4-5,11,14-15,18,23-24H,2-3,6-10,12-13H2,1H3,(H,22,26).
What are the key properties of N-[1-(cyclopropylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-5-methylpyrazolidine-3-carboxamide?
N-[1-(cyclopropylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-5-methylpyrazolidine-3-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]-5-methylpyrazolidine-3-carboxamide is sourced from PubChem (CID 134074322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).