(4R)-N-[2-[(7S)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl]ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide

C28H31N5OS — CID 67759507

IUPAC(4R)-N-[2-[(7S)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl]ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCN1CCN2c3ccccc3Cc3ccccc3[C@H]2C1)[C@@H]1CSC(c2cccnc2)N1
InChIInChI=1S/C28H31N5OS/c34-27(24-19-35-28(31-24)22-8-5-11-29-17-22)30-12-13-32-14-15-33-25-10-4-2-7-21(25)16-20-6-1-3-9-23(20)26(33)18-32/h1-11,17,24,26,28,31H,12-16,18-19H2,(H,30,34)/t24-,26+,28?/m0/s1
InChIKeyGGBAAKNDSHNZGM-JHEWSRJYSA-N
MW485.66 g/mol
LogP3.37
Rot. Bonds5

About (4R)-N-[2-[(7S)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl]ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide

(4R)-N-[2-[(7S)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl]ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 67759507) has the molecular formula C28H31N5OS and a molecular weight of 485.66 g/mol. Its IUPAC name is (4R)-N-[2-[(7S)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl]ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[2-[(7S)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl]ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
PubChem CID67759507
Molecular FormulaC28H31N5OS
Molecular Weight485.66 g/mol
Exact Mass485.22
IUPAC Name(4R)-N-[2-[(7S)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl]ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCN1CCN2c3ccccc3Cc3ccccc3[C@H]2C1)[C@@H]1CSC(c2cccnc2)N1
InChIInChI=1S/C28H31N5OS/c34-27(24-19-35-28(31-24)22-8-5-11-29-17-22)30-12-13-32-14-15-33-25-10-4-2-7-21(25)16-20-6-1-3-9-23(20)26(33)18-32/h1-11,17,24,26,28,31H,12-16,18-19H2,(H,30,34)/t24-,26+,28?/m0/s1
InChIKeyGGBAAKNDSHNZGM-JHEWSRJYSA-N
XLogP3.37
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.66
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R)-N-[2-[(7S)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl]ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-[2-[(7S)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl]ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[2-[(7S)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl]ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide (CID 67759507) is (4R)-N-[2-[(7S)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl]ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[2-[(7S)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl]ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[2-[(7S)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl]ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide is O=C(NCCN1CCN2c3ccccc3Cc3ccccc3[C@H]2C1)[C@@H]1CSC(c2cccnc2)N1.
What is the InChIKey of (4R)-N-[2-[(7S)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl]ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?
The InChIKey is GGBAAKNDSHNZGM-JHEWSRJYSA-N. The full InChI is InChI=1S/C28H31N5OS/c34-27(24-19-35-28(31-24)22-8-5-11-29-17-22)30-12-13-32-14-15-33-25-10-4-2-7-21(25)16-20-6-1-3-9-23(20)26(33)18-32/h1-11,17,24,26,28,31H,12-16,18-19H2,(H,30,34)/t24-,26+,28?/m0/s1.
What are the key properties of (4R)-N-[2-[(7S)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl]ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide?
(4R)-N-[2-[(7S)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl]ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 485.66 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[2-[(7S)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl]ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 67759507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).