2-(1-methylindazol-6-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide

C25H22N6O3 — CID 66605375

IUPAC2-(1-methylindazol-6-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCn1ncc2ccc(-c3cc(C(N)=O)c4[nH]c5cc(C(=O)N6CCOCC6)ccc5c4n3)cc21
InChIInChI=1S/C25H22N6O3/c1-30-21-11-14(2-3-16(21)13-27-30)19-12-18(24(26)32)23-22(28-19)17-5-4-15(10-20(17)29-23)25(33)31-6-8-34-9-7-31/h2-5,10-13,29H,6-9H2,1H3,(H2,26,32)
InChIKeyPFCUSDBLLGKZBN-UHFFFAOYSA-N
MW454.49 g/mol
LogP2.84
Rot. Bonds3

About 2-(1-methylindazol-6-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide

2-(1-methylindazol-6-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66605375) has the molecular formula C25H22N6O3 and a molecular weight of 454.49 g/mol. Its IUPAC name is 2-(1-methylindazol-6-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylindazol-6-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66605375
Molecular FormulaC25H22N6O3
Molecular Weight454.49 g/mol
Exact Mass454.18
IUPAC Name2-(1-methylindazol-6-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCn1ncc2ccc(-c3cc(C(N)=O)c4[nH]c5cc(C(=O)N6CCOCC6)ccc5c4n3)cc21
InChIInChI=1S/C25H22N6O3/c1-30-21-11-14(2-3-16(21)13-27-30)19-12-18(24(26)32)23-22(28-19)17-5-4-15(10-20(17)29-23)25(33)31-6-8-34-9-7-31/h2-5,10-13,29H,6-9H2,1H3,(H2,26,32)
InChIKeyPFCUSDBLLGKZBN-UHFFFAOYSA-N
XLogP2.84
TPSA119.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindazol-6-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 2-(1-methylindazol-6-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66605375) is 2-(1-methylindazol-6-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 2-(1-methylindazol-6-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 2-(1-methylindazol-6-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide is Cn1ncc2ccc(-c3cc(C(N)=O)c4[nH]c5cc(C(=O)N6CCOCC6)ccc5c4n3)cc21.
What is the InChIKey of 2-(1-methylindazol-6-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is PFCUSDBLLGKZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3/c1-30-21-11-14(2-3-16(21)13-27-30)19-12-18(24(26)32)23-22(28-19)17-5-4-15(10-20(17)29-23)25(33)31-6-8-34-9-7-31/h2-5,10-13,29H,6-9H2,1H3,(H2,26,32).
What are the key properties of 2-(1-methylindazol-6-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
2-(1-methylindazol-6-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 454.49 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindazol-6-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66605375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).