7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide

C26H31F3N6O3 — CID 20604470

IUPAC7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCNCC3)nn(CCN3CCOCC3)c12
InChIInChI=1S/C26H31F3N6O3/c1-37-22-4-2-3-19-23(32-35(24(19)22)12-11-33-13-15-38-16-14-33)25(36)31-20-17-18(26(27,28)29)5-6-21(20)34-9-7-30-8-10-34/h2-6,17,30H,7-16H2,1H3,(H,31,36)
InChIKeyPLAWDPDZMGHKOH-UHFFFAOYSA-N
MW532.57 g/mol
LogP3.06
Rot. Bonds7

About 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide

7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide (PubChem CID 20604470) has the molecular formula C26H31F3N6O3 and a molecular weight of 532.57 g/mol. Its IUPAC name is 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide
PubChem CID20604470
Molecular FormulaC26H31F3N6O3
Molecular Weight532.57 g/mol
Exact Mass532.24
IUPAC Name7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCNCC3)nn(CCN3CCOCC3)c12
InChIInChI=1S/C26H31F3N6O3/c1-37-22-4-2-3-19-23(32-35(24(19)22)12-11-33-13-15-38-16-14-33)25(36)31-20-17-18(26(27,28)29)5-6-21(20)34-9-7-30-8-10-34/h2-6,17,30H,7-16H2,1H3,(H,31,36)
InChIKeyPLAWDPDZMGHKOH-UHFFFAOYSA-N
XLogP3.06
TPSA83.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.57
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide?
The IUPAC name of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide (CID 20604470) is 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide.
What is the SMILES notation for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide?
The canonical SMILES for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide is COc1cccc2c(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCNCC3)nn(CCN3CCOCC3)c12.
What is the InChIKey of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide?
The InChIKey is PLAWDPDZMGHKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N6O3/c1-37-22-4-2-3-19-23(32-35(24(19)22)12-11-33-13-15-38-16-14-33)25(36)31-20-17-18(26(27,28)29)5-6-21(20)34-9-7-30-8-10-34/h2-6,17,30H,7-16H2,1H3,(H,31,36).
What are the key properties of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide?
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide has a molecular weight of 532.57 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide is sourced from PubChem (CID 20604470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).