2-(3-chloro-4-piperidin-4-yloxyphenyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide

C27H28ClN5O3 — CID 66604352

IUPAC2-(3-chloro-4-piperidin-4-yloxyphenyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(OC3CCNCC3)c(Cl)c2)nc2c1[nH]c1cc(N3CCOCC3)ccc12
InChIInChI=1S/C27H28ClN5O3/c28-21-13-16(1-4-24(21)36-18-5-7-30-8-6-18)22-15-20(27(29)34)26-25(31-22)19-3-2-17(14-23(19)32-26)33-9-11-35-12-10-33/h1-4,13-15,18,30,32H,5-12H2,(H2,29,34)
InChIKeySGPPMRNCGUJBSJ-UHFFFAOYSA-N
MW506.01 g/mol
LogP4.10
Rot. Bonds5

About 2-(3-chloro-4-piperidin-4-yloxyphenyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide

2-(3-chloro-4-piperidin-4-yloxyphenyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66604352) has the molecular formula C27H28ClN5O3 and a molecular weight of 506.01 g/mol. Its IUPAC name is 2-(3-chloro-4-piperidin-4-yloxyphenyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-piperidin-4-yloxyphenyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66604352
Molecular FormulaC27H28ClN5O3
Molecular Weight506.01 g/mol
Exact Mass505.19
IUPAC Name2-(3-chloro-4-piperidin-4-yloxyphenyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(OC3CCNCC3)c(Cl)c2)nc2c1[nH]c1cc(N3CCOCC3)ccc12
InChIInChI=1S/C27H28ClN5O3/c28-21-13-16(1-4-24(21)36-18-5-7-30-8-6-18)22-15-20(27(29)34)26-25(31-22)19-3-2-17(14-23(19)32-26)33-9-11-35-12-10-33/h1-4,13-15,18,30,32H,5-12H2,(H2,29,34)
InChIKeySGPPMRNCGUJBSJ-UHFFFAOYSA-N
XLogP4.10
TPSA105.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.01
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-piperidin-4-yloxyphenyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 2-(3-chloro-4-piperidin-4-yloxyphenyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66604352) is 2-(3-chloro-4-piperidin-4-yloxyphenyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-piperidin-4-yloxyphenyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 2-(3-chloro-4-piperidin-4-yloxyphenyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide is NC(=O)c1cc(-c2ccc(OC3CCNCC3)c(Cl)c2)nc2c1[nH]c1cc(N3CCOCC3)ccc12.
What is the InChIKey of 2-(3-chloro-4-piperidin-4-yloxyphenyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is SGPPMRNCGUJBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O3/c28-21-13-16(1-4-24(21)36-18-5-7-30-8-6-18)22-15-20(27(29)34)26-25(31-22)19-3-2-17(14-23(19)32-26)33-9-11-35-12-10-33/h1-4,13-15,18,30,32H,5-12H2,(H2,29,34).
What are the key properties of 2-(3-chloro-4-piperidin-4-yloxyphenyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide?
2-(3-chloro-4-piperidin-4-yloxyphenyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 506.01 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-piperidin-4-yloxyphenyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66604352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).