2-[[5-(3-chloro-2-pyridinyl)-2H-indazol-3-yl]methyl]-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole

C27H31ClN6S — CID 58540844

IUPAC2-[[5-(3-chloro-2-pyridinyl)-2H-indazol-3-yl]methyl]-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESClc1cccnc1-c1ccc2n[nH]c(Cc3ncc(CN4CCC(N5CCCCC5)CC4)s3)c2c1
InChIInChI=1S/C27H31ClN6S/c28-23-5-4-10-29-27(23)19-6-7-24-22(15-19)25(32-31-24)16-26-30-17-21(35-26)18-33-13-8-20(9-14-33)34-11-2-1-3-12-34/h4-7,10,15,17,20H,1-3,8-9,11-14,16,18H2,(H,31,32)
InChIKeyLXSUHEZZIVNORF-UHFFFAOYSA-N
MW507.11 g/mol
LogP5.78
Rot. Bonds6

About 2-[[5-(3-chloro-2-pyridinyl)-2H-indazol-3-yl]methyl]-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole

2-[[5-(3-chloro-2-pyridinyl)-2H-indazol-3-yl]methyl]-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole (PubChem CID 58540844) has the molecular formula C27H31ClN6S and a molecular weight of 507.11 g/mol. Its IUPAC name is 2-[[5-(3-chloro-2-pyridinyl)-2H-indazol-3-yl]methyl]-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[5-(3-chloro-2-pyridinyl)-2H-indazol-3-yl]methyl]-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole
PubChem CID58540844
Molecular FormulaC27H31ClN6S
Molecular Weight507.11 g/mol
Exact Mass506.20
IUPAC Name2-[[5-(3-chloro-2-pyridinyl)-2H-indazol-3-yl]methyl]-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESClc1cccnc1-c1ccc2n[nH]c(Cc3ncc(CN4CCC(N5CCCCC5)CC4)s3)c2c1
InChIInChI=1S/C27H31ClN6S/c28-23-5-4-10-29-27(23)19-6-7-24-22(15-19)25(32-31-24)16-26-30-17-21(35-26)18-33-13-8-20(9-14-33)34-11-2-1-3-12-34/h4-7,10,15,17,20H,1-3,8-9,11-14,16,18H2,(H,31,32)
InChIKeyLXSUHEZZIVNORF-UHFFFAOYSA-N
XLogP5.78
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.11
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(3-chloro-2-pyridinyl)-2H-indazol-3-yl]methyl]-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898110
2-[4-[[2-[[5-(3-chloro-2-pyridinyl)-1H-indazol-3-yl]amino]-1,3-thiazol-5-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 87420077
5-[[4-(3-chloro-2-pyridinyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120903805
4-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyridine
CID 79256164
5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771683
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
5-[3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]quinoline-8-carbonitrile
CID 118006406
[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63887071
5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 63378027
4-[2-pyridin-3-yl-6-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24947793
3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 25282589
4-[2-chloro-6-[(4-piperidin-1-ylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 86623510

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chloro-2-pyridinyl)-2H-indazol-3-yl]methyl]-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[[5-(3-chloro-2-pyridinyl)-2H-indazol-3-yl]methyl]-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole (CID 58540844) is 2-[[5-(3-chloro-2-pyridinyl)-2H-indazol-3-yl]methyl]-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[5-(3-chloro-2-pyridinyl)-2H-indazol-3-yl]methyl]-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[[5-(3-chloro-2-pyridinyl)-2H-indazol-3-yl]methyl]-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole is Clc1cccnc1-c1ccc2n[nH]c(Cc3ncc(CN4CCC(N5CCCCC5)CC4)s3)c2c1.
What is the InChIKey of 2-[[5-(3-chloro-2-pyridinyl)-2H-indazol-3-yl]methyl]-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is LXSUHEZZIVNORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN6S/c28-23-5-4-10-29-27(23)19-6-7-24-22(15-19)25(32-31-24)16-26-30-17-21(35-26)18-33-13-8-20(9-14-33)34-11-2-1-3-12-34/h4-7,10,15,17,20H,1-3,8-9,11-14,16,18H2,(H,31,32).
What are the key properties of 2-[[5-(3-chloro-2-pyridinyl)-2H-indazol-3-yl]methyl]-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole?
2-[[5-(3-chloro-2-pyridinyl)-2H-indazol-3-yl]methyl]-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 507.11 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chloro-2-pyridinyl)-2H-indazol-3-yl]methyl]-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 58540844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).