2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxamide

C24H23Cl2N7O2 — CID 175929882

IUPAC2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxamide
SMILESC[C@@H](Oc1ccc2[nH]nc(-c3ccc(C4CNCCN4C(N)=O)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C24H23Cl2N7O2/c1-13(22-17(25)10-29-11-18(22)26)35-15-3-5-19-16(8-15)23(32-31-19)14-2-4-20(30-9-14)21-12-28-6-7-33(21)24(27)34/h2-5,8-11,13,21,28H,6-7,12H2,1H3,(H2,27,34)(H,31,32)/t13-,21?/m1/s1
InChIKeyYCPJEJLCUXIRQV-ILRUXTBWSA-N
MW512.40 g/mol
LogP4.49
Rot. Bonds5

About 2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxamide

2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 175929882) has the molecular formula C24H23Cl2N7O2 and a molecular weight of 512.40 g/mol. Its IUPAC name is 2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxamide
PubChem CID175929882
Molecular FormulaC24H23Cl2N7O2
Molecular Weight512.40 g/mol
Exact Mass511.13
IUPAC Name2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxamide
SMILESC[C@@H](Oc1ccc2[nH]nc(-c3ccc(C4CNCCN4C(N)=O)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C24H23Cl2N7O2/c1-13(22-17(25)10-29-11-18(22)26)35-15-3-5-19-16(8-15)23(32-31-19)14-2-4-20(30-9-14)21-12-28-6-7-33(21)24(27)34/h2-5,8-11,13,21,28H,6-7,12H2,1H3,(H2,27,34)(H,31,32)/t13-,21?/m1/s1
InChIKeyYCPJEJLCUXIRQV-ILRUXTBWSA-N
XLogP4.49
TPSA122.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.40
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indazole
CID 170647467
7-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxamide
CID 174222829
1-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-1,4-diazepan-5-one
CID 174222988
3-[6-(4,7-diazaspiro[2.5]octan-7-yl)-3-pyridinyl]-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole
CID 167155919
[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-imino-methyl-oxo-λ6-sulfane
CID 156565634
[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 162311753
4-[5-[5-[(S)-amino-(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-2-pyridinyl]-N,N-dimethylpiperidine-1-carboxamide
CID 174339067
(3R)-3-tert-butyl-6-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
CID 176890273
[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 135298138
[5-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane
CID 156577934
5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-pyridinyl]-1H-indazole
CID 170647464
[4-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3-fluoro-2-pyridinyl]piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 174222938

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of 2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxamide (CID 175929882) is 2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for 2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for 2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxamide is C[C@@H](Oc1ccc2[nH]nc(-c3ccc(C4CNCCN4C(N)=O)nc3)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is YCPJEJLCUXIRQV-ILRUXTBWSA-N. The full InChI is InChI=1S/C24H23Cl2N7O2/c1-13(22-17(25)10-29-11-18(22)26)35-15-3-5-19-16(8-15)23(32-31-19)14-2-4-20(30-9-14)21-12-28-6-7-33(21)24(27)34/h2-5,8-11,13,21,28H,6-7,12H2,1H3,(H2,27,34)(H,31,32)/t13-,21?/m1/s1.
What are the key properties of 2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxamide?
2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 512.40 g/mol, XLogP of 4.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 175929882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).