N-[5-(3-chloro-2-pyridinyl)-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-yl]-5-(methylaminomethyl)-1,3-thiazol-2-amine

C24H22ClN7OS — CID 87418818

IUPACN-[5-(3-chloro-2-pyridinyl)-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-yl]-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCNCc1cnc(Nc2n[nH]c3c(OCCc4ccccn4)cc(-c4ncccc4Cl)cc23)s1
InChIInChI=1S/C24H22ClN7OS/c1-26-13-17-14-29-24(34-17)30-23-18-11-15(21-19(25)6-4-9-28-21)12-20(22(18)31-32-23)33-10-7-16-5-2-3-8-27-16/h2-6,8-9,11-12,14,26H,7,10,13H2,1H3,(H2,29,30,31,32)
InChIKeyKIHPHVBZVKDSDI-UHFFFAOYSA-N
MW492.01 g/mol
LogP5.21
Rot. Bonds9

About N-[5-(3-chloro-2-pyridinyl)-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-yl]-5-(methylaminomethyl)-1,3-thiazol-2-amine

N-[5-(3-chloro-2-pyridinyl)-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-yl]-5-(methylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 87418818) has the molecular formula C24H22ClN7OS and a molecular weight of 492.01 g/mol. Its IUPAC name is N-[5-(3-chloro-2-pyridinyl)-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-yl]-5-(methylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[5-(3-chloro-2-pyridinyl)-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-yl]-5-(methylaminomethyl)-1,3-thiazol-2-amine
PubChem CID87418818
Molecular FormulaC24H22ClN7OS
Molecular Weight492.01 g/mol
Exact Mass491.13
IUPAC NameN-[5-(3-chloro-2-pyridinyl)-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-yl]-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCNCc1cnc(Nc2n[nH]c3c(OCCc4ccccn4)cc(-c4ncccc4Cl)cc23)s1
InChIInChI=1S/C24H22ClN7OS/c1-26-13-17-14-29-24(34-17)30-23-18-11-15(21-19(25)6-4-9-28-21)12-20(22(18)31-32-23)33-10-7-16-5-2-3-8-27-16/h2-6,8-9,11-12,14,26H,7,10,13H2,1H3,(H2,29,30,31,32)
InChIKeyKIHPHVBZVKDSDI-UHFFFAOYSA-N
XLogP5.21
TPSA100.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.01
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chloro-2-pyridinyl)-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-yl]-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[5-(3-chloro-2-pyridinyl)-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-yl]-5-(methylaminomethyl)-1,3-thiazol-2-amine (CID 87418818) is N-[5-(3-chloro-2-pyridinyl)-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-yl]-5-(methylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[5-(3-chloro-2-pyridinyl)-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-yl]-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[5-(3-chloro-2-pyridinyl)-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-yl]-5-(methylaminomethyl)-1,3-thiazol-2-amine is CNCc1cnc(Nc2n[nH]c3c(OCCc4ccccn4)cc(-c4ncccc4Cl)cc23)s1.
What is the InChIKey of N-[5-(3-chloro-2-pyridinyl)-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-yl]-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is KIHPHVBZVKDSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN7OS/c1-26-13-17-14-29-24(34-17)30-23-18-11-15(21-19(25)6-4-9-28-21)12-20(22(18)31-32-23)33-10-7-16-5-2-3-8-27-16/h2-6,8-9,11-12,14,26H,7,10,13H2,1H3,(H2,29,30,31,32).
What are the key properties of N-[5-(3-chloro-2-pyridinyl)-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-yl]-5-(methylaminomethyl)-1,3-thiazol-2-amine?
N-[5-(3-chloro-2-pyridinyl)-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-yl]-5-(methylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 492.01 g/mol, XLogP of 5.21, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chloro-2-pyridinyl)-7-(2-pyridin-2-ylethoxy)-1H-indazol-3-yl]-5-(methylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 87418818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).