N-(2-piperidin-1-ylethyl)-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

C26H30N6OS — CID 127038828

IUPACN-(2-piperidin-1-ylethyl)-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCCCc1cccc2c(-c3cnc(-c4ccc(C(=O)NCCN5CCCCC5)nc4)s3)[nH]nc12
InChIInChI=1S/C26H30N6OS/c1-2-7-18-8-6-9-20-23(18)30-31-24(20)22-17-29-26(34-22)19-10-11-21(28-16-19)25(33)27-12-15-32-13-4-3-5-14-32/h6,8-11,16-17H,2-5,7,12-15H2,1H3,(H,27,33)(H,30,31)
InChIKeyFSHYFKNMIPAWGN-UHFFFAOYSA-N
MW474.63 g/mol
LogP4.92
Rot. Bonds8

About N-(2-piperidin-1-ylethyl)-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

N-(2-piperidin-1-ylethyl)-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 127038828) has the molecular formula C26H30N6OS and a molecular weight of 474.63 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID127038828
Molecular FormulaC26H30N6OS
Molecular Weight474.63 g/mol
Exact Mass474.22
IUPAC NameN-(2-piperidin-1-ylethyl)-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCCCc1cccc2c(-c3cnc(-c4ccc(C(=O)NCCN5CCCCC5)nc4)s3)[nH]nc12
InChIInChI=1S/C26H30N6OS/c1-2-7-18-8-6-9-20-23(18)30-31-24(20)22-17-29-26(34-22)19-10-11-21(28-16-19)25(33)27-12-15-32-13-4-3-5-14-32/h6,8-11,16-17H,2-5,7,12-15H2,1H3,(H,27,33)(H,30,31)
InChIKeyFSHYFKNMIPAWGN-UHFFFAOYSA-N
XLogP4.92
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-(2-piperidin-1-ylethyl)-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 127038828) is N-(2-piperidin-1-ylethyl)-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is CCCc1cccc2c(-c3cnc(-c4ccc(C(=O)NCCN5CCCCC5)nc4)s3)[nH]nc12.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is FSHYFKNMIPAWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6OS/c1-2-7-18-8-6-9-20-23(18)30-31-24(20)22-17-29-26(34-22)19-10-11-21(28-16-19)25(33)27-12-15-32-13-4-3-5-14-32/h6,8-11,16-17H,2-5,7,12-15H2,1H3,(H,27,33)(H,30,31).
What are the key properties of N-(2-piperidin-1-ylethyl)-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
N-(2-piperidin-1-ylethyl)-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 474.63 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 127038828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).