N'-[2-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]propan-2-yl]ethane-1,2-diamine

C22H26N6S — CID 143017492

IUPACN'-[2-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]propan-2-yl]ethane-1,2-diamine
SMILESCc1cc(C)c2n[nH]c(-c3nc(C(C)(C)NCCN)c(-c4cccnc4)s3)c2c1
InChIInChI=1S/C22H26N6S/c1-13-10-14(2)17-16(11-13)18(28-27-17)21-26-20(22(3,4)25-9-7-23)19(29-21)15-6-5-8-24-12-15/h5-6,8,10-12,25H,7,9,23H2,1-4H3,(H,27,28)
InChIKeyDBQDBBDPOMUZFZ-UHFFFAOYSA-N
MW406.56 g/mol
LogP4.15
Rot. Bonds6

About N'-[2-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]propan-2-yl]ethane-1,2-diamine

N'-[2-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]propan-2-yl]ethane-1,2-diamine (PubChem CID 143017492) has the molecular formula C22H26N6S and a molecular weight of 406.56 g/mol. Its IUPAC name is N'-[2-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]propan-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]propan-2-yl]ethane-1,2-diamine
PubChem CID143017492
Molecular FormulaC22H26N6S
Molecular Weight406.56 g/mol
Exact Mass406.19
IUPAC NameN'-[2-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]propan-2-yl]ethane-1,2-diamine
SMILESCc1cc(C)c2n[nH]c(-c3nc(C(C)(C)NCCN)c(-c4cccnc4)s3)c2c1
InChIInChI=1S/C22H26N6S/c1-13-10-14(2)17-16(11-13)18(28-27-17)21-26-20(22(3,4)25-9-7-23)19(29-21)15-6-5-8-24-12-15/h5-6,8,10-12,25H,7,9,23H2,1-4H3,(H,27,28)
InChIKeyDBQDBBDPOMUZFZ-UHFFFAOYSA-N
XLogP4.15
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N'-[2-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]propan-2-yl]ethane-1,2-diamine with MolForge

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Related Compounds

1-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]ethanone
CID 143017591
2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carbaldehyde
CID 22259253
[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 22259160
2-(7-methyl-2H-indazol-3-yl)-4-prop-1-en-2-yl-5-pyridin-3-yl-1,3-thiazole
CID 143017487
methyl 2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate
CID 23590807
2-(7-methyl-2H-indazol-3-yl)-4-[1-(3-methylpyrrolidin-1-yl)ethenyl]-5-pyridin-3-yl-1,3-thiazole
CID 143017598
N-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpyrrolidin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 23590827
[2-(7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone
CID 22259239
2-methyl-1-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]propan-2-amine
CID 82190405
2-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 39244014
(6,8-dimethyl-2-phenylquinolin-4-yl)hydrazine
CID 63484238
2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine
CID 82190401

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]propan-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]propan-2-yl]ethane-1,2-diamine (CID 143017492) is N'-[2-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]propan-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]propan-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]propan-2-yl]ethane-1,2-diamine is Cc1cc(C)c2n[nH]c(-c3nc(C(C)(C)NCCN)c(-c4cccnc4)s3)c2c1.
What is the InChIKey of N'-[2-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]propan-2-yl]ethane-1,2-diamine?
The InChIKey is DBQDBBDPOMUZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6S/c1-13-10-14(2)17-16(11-13)18(28-27-17)21-26-20(22(3,4)25-9-7-23)19(29-21)15-6-5-8-24-12-15/h5-6,8,10-12,25H,7,9,23H2,1-4H3,(H,27,28).
What are the key properties of N'-[2-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]propan-2-yl]ethane-1,2-diamine?
N'-[2-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]propan-2-yl]ethane-1,2-diamine has a molecular weight of 406.56 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]propan-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 143017492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).