7-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxamide

C26H25Cl2N7O2 — CID 174222829

IUPAC7-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxamide
SMILESCC(Oc1ccc2[nH]nc(-c3ccc(N4CCN(C(N)=O)C5(CC5)C4)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C26H25Cl2N7O2/c1-15(23-19(27)12-30-13-20(23)28)37-17-3-4-21-18(10-17)24(33-32-21)16-2-5-22(31-11-16)34-8-9-35(25(29)36)26(14-34)6-7-26/h2-5,10-13,15H,6-9,14H2,1H3,(H2,29,36)(H,32,33)
InChIKeyUAIRDTFWOPNQHB-UHFFFAOYSA-N
MW538.44 g/mol
LogP5.20
Rot. Bonds5

About 7-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxamide

7-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxamide (PubChem CID 174222829) has the molecular formula C26H25Cl2N7O2 and a molecular weight of 538.44 g/mol. Its IUPAC name is 7-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxamide.

Molecular Properties

Compound Name7-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxamide
PubChem CID174222829
Molecular FormulaC26H25Cl2N7O2
Molecular Weight538.44 g/mol
Exact Mass537.14
IUPAC Name7-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxamide
SMILESCC(Oc1ccc2[nH]nc(-c3ccc(N4CCN(C(N)=O)C5(CC5)C4)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C26H25Cl2N7O2/c1-15(23-19(27)12-30-13-20(23)28)37-17-3-4-21-18(10-17)24(33-32-21)16-2-5-22(31-11-16)34-8-9-35(25(29)36)26(14-34)6-7-26/h2-5,10-13,15H,6-9,14H2,1H3,(H2,29,36)(H,32,33)
InChIKeyUAIRDTFWOPNQHB-UHFFFAOYSA-N
XLogP5.20
TPSA113.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.44
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxamide?
The IUPAC name of 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) is 7-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxamide.
What is the SMILES notation for 7-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxamide?
The canonical SMILES for 7-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxamide is CC(Oc1ccc2[nH]nc(-c3ccc(N4CCN(C(N)=O)C5(CC5)C4)nc3)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 7-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxamide?
The InChIKey is UAIRDTFWOPNQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N7O2/c1-15(23-19(27)12-30-13-20(23)28)37-17-3-4-21-18(10-17)24(33-32-21)16-2-5-22(31-11-16)34-8-9-35(25(29)36)26(14-34)6-7-26/h2-5,10-13,15H,6-9,14H2,1H3,(H2,29,36)(H,32,33).
What are the key properties of 7-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxamide?
7-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxamide has a molecular weight of 538.44 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-4,7-diazaspiro[2.5]octane-4-carboxamide is sourced from PubChem (CID 174222829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).