5-chloro-6-fluoro-3-(4-piperazin-1-yl-2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide

C22H24ClFN4O2 — CID 154585764

IUPAC5-chloro-6-fluoro-3-(4-piperazin-1-yl-2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
SMILESCC(C)Oc1cc(N2CCNCC2)ccc1-c1c(C(N)=O)[nH]c2cc(F)c(Cl)cc12
InChIInChI=1S/C22H24ClFN4O2/c1-12(2)30-19-9-13(28-7-5-26-6-8-28)3-4-14(19)20-15-10-16(23)17(24)11-18(15)27-21(20)22(25)29/h3-4,9-12,26-27H,5-8H2,1-2H3,(H2,25,29)
InChIKeyMOVJBOWCKBGZHU-UHFFFAOYSA-N
MW430.91 g/mol
LogP3.92
Rot. Bonds5

About 5-chloro-6-fluoro-3-(4-piperazin-1-yl-2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide

5-chloro-6-fluoro-3-(4-piperazin-1-yl-2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide (PubChem CID 154585764) has the molecular formula C22H24ClFN4O2 and a molecular weight of 430.91 g/mol. Its IUPAC name is 5-chloro-6-fluoro-3-(4-piperazin-1-yl-2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-6-fluoro-3-(4-piperazin-1-yl-2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
PubChem CID154585764
Molecular FormulaC22H24ClFN4O2
Molecular Weight430.91 g/mol
Exact Mass430.16
IUPAC Name5-chloro-6-fluoro-3-(4-piperazin-1-yl-2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
SMILESCC(C)Oc1cc(N2CCNCC2)ccc1-c1c(C(N)=O)[nH]c2cc(F)c(Cl)cc12
InChIInChI=1S/C22H24ClFN4O2/c1-12(2)30-19-9-13(28-7-5-26-6-8-28)3-4-14(19)20-15-10-16(23)17(24)11-18(15)27-21(20)22(25)29/h3-4,9-12,26-27H,5-8H2,1-2H3,(H2,25,29)
InChIKeyMOVJBOWCKBGZHU-UHFFFAOYSA-N
XLogP3.92
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-3-(4-piperazin-1-yl-2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-6-fluoro-3-(4-piperazin-1-yl-2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide (CID 154585764) is 5-chloro-6-fluoro-3-(4-piperazin-1-yl-2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-6-fluoro-3-(4-piperazin-1-yl-2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-6-fluoro-3-(4-piperazin-1-yl-2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide is CC(C)Oc1cc(N2CCNCC2)ccc1-c1c(C(N)=O)[nH]c2cc(F)c(Cl)cc12.
What is the InChIKey of 5-chloro-6-fluoro-3-(4-piperazin-1-yl-2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
The InChIKey is MOVJBOWCKBGZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O2/c1-12(2)30-19-9-13(28-7-5-26-6-8-28)3-4-14(19)20-15-10-16(23)17(24)11-18(15)27-21(20)22(25)29/h3-4,9-12,26-27H,5-8H2,1-2H3,(H2,25,29).
What are the key properties of 5-chloro-6-fluoro-3-(4-piperazin-1-yl-2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
5-chloro-6-fluoro-3-(4-piperazin-1-yl-2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide has a molecular weight of 430.91 g/mol, XLogP of 3.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-3-(4-piperazin-1-yl-2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 154585764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).