5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazole-3-carboxamide

C26H25Cl2N5O3 — CID 162373724

IUPAC5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazole-3-carboxamide
SMILESCC(Oc1ccc2[nH]nc(C(=O)Nc3ccc(CN4CCOCC4)cc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C26H25Cl2N5O3/c1-16(24-21(27)13-29-14-22(24)28)36-19-6-7-23-20(12-19)25(32-31-23)26(34)30-18-4-2-17(3-5-18)15-33-8-10-35-11-9-33/h2-7,12-14,16H,8-11,15H2,1H3,(H,30,34)(H,31,32)
InChIKeyFNWVYFSKRBMQKX-UHFFFAOYSA-N
MW526.42 g/mol
LogP5.49
Rot. Bonds7

About 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazole-3-carboxamide

5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 162373724) has the molecular formula C26H25Cl2N5O3 and a molecular weight of 526.42 g/mol. Its IUPAC name is 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazole-3-carboxamide
PubChem CID162373724
Molecular FormulaC26H25Cl2N5O3
Molecular Weight526.42 g/mol
Exact Mass525.13
IUPAC Name5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazole-3-carboxamide
SMILESCC(Oc1ccc2[nH]nc(C(=O)Nc3ccc(CN4CCOCC4)cc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C26H25Cl2N5O3/c1-16(24-21(27)13-29-14-22(24)28)36-19-6-7-23-20(12-19)25(32-31-23)26(34)30-18-4-2-17(3-5-18)15-33-8-10-35-11-9-33/h2-7,12-14,16H,8-11,15H2,1H3,(H,30,34)(H,31,32)
InChIKeyFNWVYFSKRBMQKX-UHFFFAOYSA-N
XLogP5.49
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.42
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazole-3-carboxamide (CID 162373724) is 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazole-3-carboxamide is CC(Oc1ccc2[nH]nc(C(=O)Nc3ccc(CN4CCOCC4)cc3)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
The InChIKey is FNWVYFSKRBMQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N5O3/c1-16(24-21(27)13-29-14-22(24)28)36-19-6-7-23-20(12-19)25(32-31-23)26(34)30-18-4-2-17(3-5-18)15-33-8-10-35-11-9-33/h2-7,12-14,16H,8-11,15H2,1H3,(H,30,34)(H,31,32).
What are the key properties of 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazole-3-carboxamide has a molecular weight of 526.42 g/mol, XLogP of 5.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 162373724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).