2-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide

C28H30FN5O4 — CID 66604515

IUPAC2-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(OCCN3CCOCC3)c(F)c2)nc2c1[nH]c1cc(N3CCOCC3)ccc12
InChIInChI=1S/C28H30FN5O4/c29-22-15-18(1-4-25(22)38-14-7-33-5-10-36-11-6-33)23-17-21(28(30)35)27-26(31-23)20-3-2-19(16-24(20)32-27)34-8-12-37-13-9-34/h1-4,15-17,32H,5-14H2,(H2,30,35)
InChIKeyUCBVOVPRWKGNBK-UHFFFAOYSA-N
MW519.58 g/mol
LogP3.17
Rot. Bonds7

About 2-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide

2-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66604515) has the molecular formula C28H30FN5O4 and a molecular weight of 519.58 g/mol. Its IUPAC name is 2-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66604515
Molecular FormulaC28H30FN5O4
Molecular Weight519.58 g/mol
Exact Mass519.23
IUPAC Name2-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(OCCN3CCOCC3)c(F)c2)nc2c1[nH]c1cc(N3CCOCC3)ccc12
InChIInChI=1S/C28H30FN5O4/c29-22-15-18(1-4-25(22)38-14-7-33-5-10-36-11-6-33)23-17-21(28(30)35)27-26(31-23)20-3-2-19(16-24(20)32-27)34-8-12-37-13-9-34/h1-4,15-17,32H,5-14H2,(H2,30,35)
InChIKeyUCBVOVPRWKGNBK-UHFFFAOYSA-N
XLogP3.17
TPSA105.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.58
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 2-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66604515) is 2-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 2-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 2-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide is NC(=O)c1cc(-c2ccc(OCCN3CCOCC3)c(F)c2)nc2c1[nH]c1cc(N3CCOCC3)ccc12.
What is the InChIKey of 2-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is UCBVOVPRWKGNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O4/c29-22-15-18(1-4-25(22)38-14-7-33-5-10-36-11-6-33)23-17-21(28(30)35)27-26(31-23)20-3-2-19(16-24(20)32-27)34-8-12-37-13-9-34/h1-4,15-17,32H,5-14H2,(H2,30,35).
What are the key properties of 2-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide?
2-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 519.58 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66604515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).