N-[1-(3,5-dichloro-4-pyridinyl)ethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

C21H17Cl2N5O — CID 127047591

IUPACN-[1-(3,5-dichloro-4-pyridinyl)ethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NC(C)c4c(Cl)cncc4Cl)cc23)ccn1
InChIInChI=1S/C21H17Cl2N5O/c1-11-7-13(5-6-25-11)20-15-8-14(3-4-18(15)27-28-20)21(29)26-12(2)19-16(22)9-24-10-17(19)23/h3-10,12H,1-2H3,(H,26,29)(H,27,28)
InChIKeyIDTNHVSQAQYIPW-UHFFFAOYSA-N
MW426.31 g/mol
LogP5.13
Rot. Bonds4

About N-[1-(3,5-dichloro-4-pyridinyl)ethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

N-[1-(3,5-dichloro-4-pyridinyl)ethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 127047591) has the molecular formula C21H17Cl2N5O and a molecular weight of 426.31 g/mol. Its IUPAC name is N-[1-(3,5-dichloro-4-pyridinyl)ethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dichloro-4-pyridinyl)ethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID127047591
Molecular FormulaC21H17Cl2N5O
Molecular Weight426.31 g/mol
Exact Mass425.08
IUPAC NameN-[1-(3,5-dichloro-4-pyridinyl)ethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NC(C)c4c(Cl)cncc4Cl)cc23)ccn1
InChIInChI=1S/C21H17Cl2N5O/c1-11-7-13(5-6-25-11)20-15-8-14(3-4-18(15)27-28-20)21(29)26-12(2)19-16(22)9-24-10-17(19)23/h3-10,12H,1-2H3,(H,26,29)(H,27,28)
InChIKeyIDTNHVSQAQYIPW-UHFFFAOYSA-N
XLogP5.13
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.31
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(3,5-dichloro-4-pyridinyl)ethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dichloro-4-pyridinyl)ethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[1-(3,5-dichloro-4-pyridinyl)ethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (CID 127047591) is N-[1-(3,5-dichloro-4-pyridinyl)ethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[1-(3,5-dichloro-4-pyridinyl)ethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[1-(3,5-dichloro-4-pyridinyl)ethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is Cc1cc(-c2n[nH]c3ccc(C(=O)NC(C)c4c(Cl)cncc4Cl)cc23)ccn1.
What is the InChIKey of N-[1-(3,5-dichloro-4-pyridinyl)ethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is IDTNHVSQAQYIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N5O/c1-11-7-13(5-6-25-11)20-15-8-14(3-4-18(15)27-28-20)21(29)26-12(2)19-16(22)9-24-10-17(19)23/h3-10,12H,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[1-(3,5-dichloro-4-pyridinyl)ethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
N-[1-(3,5-dichloro-4-pyridinyl)ethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 426.31 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dichloro-4-pyridinyl)ethyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 127047591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).