1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methoxypiperazin-1-yl]indazole

C20H22Cl2N4O — CID 174731393

IUPAC1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methoxypiperazin-1-yl]indazole
SMILESCO[C@H]1CN(c2ccc3cnn([C@H](C)c4ccc(Cl)cc4Cl)c3c2)CCN1
InChIInChI=1S/C20H22Cl2N4O/c1-13(17-6-4-15(21)9-18(17)22)26-19-10-16(5-3-14(19)11-24-26)25-8-7-23-20(12-25)27-2/h3-6,9-11,13,20,23H,7-8,12H2,1-2H3/t13-,20+/m1/s1
InChIKeyFPAQIWDPMFPPQI-XCLFUZPHSA-N
MW405.33 g/mol
LogP4.33
Rot. Bonds4

About 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methoxypiperazin-1-yl]indazole

1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methoxypiperazin-1-yl]indazole (PubChem CID 174731393) has the molecular formula C20H22Cl2N4O and a molecular weight of 405.33 g/mol. Its IUPAC name is 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methoxypiperazin-1-yl]indazole.

Molecular Properties

Compound Name1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methoxypiperazin-1-yl]indazole
PubChem CID174731393
Molecular FormulaC20H22Cl2N4O
Molecular Weight405.33 g/mol
Exact Mass404.12
IUPAC Name1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methoxypiperazin-1-yl]indazole
SMILESCO[C@H]1CN(c2ccc3cnn([C@H](C)c4ccc(Cl)cc4Cl)c3c2)CCN1
InChIInChI=1S/C20H22Cl2N4O/c1-13(17-6-4-15(21)9-18(17)22)26-19-10-16(5-3-14(19)11-24-26)25-8-7-23-20(12-25)27-2/h3-6,9-11,13,20,23H,7-8,12H2,1-2H3/t13-,20+/m1/s1
InChIKeyFPAQIWDPMFPPQI-XCLFUZPHSA-N
XLogP4.33
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 122175823
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CID 10499688
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CID 21094603
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CID 23404751
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CID 59514112
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CID 59514224
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CID 59514308
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CID 59514324
CID 59514324

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methoxypiperazin-1-yl]indazole?
The IUPAC name of 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methoxypiperazin-1-yl]indazole (CID 174731393) is 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methoxypiperazin-1-yl]indazole.
What is the SMILES notation for 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methoxypiperazin-1-yl]indazole?
The canonical SMILES for 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methoxypiperazin-1-yl]indazole is CO[C@H]1CN(c2ccc3cnn([C@H](C)c4ccc(Cl)cc4Cl)c3c2)CCN1.
What is the InChIKey of 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methoxypiperazin-1-yl]indazole?
The InChIKey is FPAQIWDPMFPPQI-XCLFUZPHSA-N. The full InChI is InChI=1S/C20H22Cl2N4O/c1-13(17-6-4-15(21)9-18(17)22)26-19-10-16(5-3-14(19)11-24-26)25-8-7-23-20(12-25)27-2/h3-6,9-11,13,20,23H,7-8,12H2,1-2H3/t13-,20+/m1/s1.
What are the key properties of 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methoxypiperazin-1-yl]indazole?
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methoxypiperazin-1-yl]indazole has a molecular weight of 405.33 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[(3S)-3-methoxypiperazin-1-yl]indazole is sourced from PubChem (CID 174731393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).