5-chloro-1-(cyclopropylmethyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide

C23H25ClN6O2S — CID 59011959

IUPAC5-chloro-1-(cyclopropylmethyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC4(CC3)CN(CC3CC3)c3ccc(Cl)cc34)nc12
InChIInChI=1S/C23H25ClN6O2S/c1-32-19-18-20(26-13-25-19)33-21(27-18)28-22(31)29-8-6-23(7-9-29)12-30(11-14-2-3-14)17-5-4-15(24)10-16(17)23/h4-5,10,13-14H,2-3,6-9,11-12H2,1H3,(H,27,28,31)
InChIKeyINNJQGBVTRKEGT-UHFFFAOYSA-N
MW485.01 g/mol
LogP4.54
Rot. Bonds4

About 5-chloro-1-(cyclopropylmethyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide

5-chloro-1-(cyclopropylmethyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 59011959) has the molecular formula C23H25ClN6O2S and a molecular weight of 485.01 g/mol. Its IUPAC name is 5-chloro-1-(cyclopropylmethyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name5-chloro-1-(cyclopropylmethyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
PubChem CID59011959
Molecular FormulaC23H25ClN6O2S
Molecular Weight485.01 g/mol
Exact Mass484.14
IUPAC Name5-chloro-1-(cyclopropylmethyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC4(CC3)CN(CC3CC3)c3ccc(Cl)cc34)nc12
InChIInChI=1S/C23H25ClN6O2S/c1-32-19-18-20(26-13-25-19)33-21(27-18)28-22(31)29-8-6-23(7-9-29)12-30(11-14-2-3-14)17-5-4-15(24)10-16(17)23/h4-5,10,13-14H,2-3,6-9,11-12H2,1H3,(H,27,28,31)
InChIKeyINNJQGBVTRKEGT-UHFFFAOYSA-N
XLogP4.54
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.01
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(cyclopropylmethyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of 5-chloro-1-(cyclopropylmethyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide (CID 59011959) is 5-chloro-1-(cyclopropylmethyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 5-chloro-1-(cyclopropylmethyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 5-chloro-1-(cyclopropylmethyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide is COc1ncnc2sc(NC(=O)N3CCC4(CC3)CN(CC3CC3)c3ccc(Cl)cc34)nc12.
What is the InChIKey of 5-chloro-1-(cyclopropylmethyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is INNJQGBVTRKEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O2S/c1-32-19-18-20(26-13-25-19)33-21(27-18)28-22(31)29-8-6-23(7-9-29)12-30(11-14-2-3-14)17-5-4-15(24)10-16(17)23/h4-5,10,13-14H,2-3,6-9,11-12H2,1H3,(H,27,28,31).
What are the key properties of 5-chloro-1-(cyclopropylmethyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
5-chloro-1-(cyclopropylmethyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 485.01 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(cyclopropylmethyl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 59011959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).