N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-2-pyridinyl]-3-methylmorpholine-4-carboxamide

C20H19ClN8O2S — CID 139481607

IUPACN-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-2-pyridinyl]-3-methylmorpholine-4-carboxamide
SMILESCC1COCCN1C(=O)Nc1cc(-c2nsc(Nc3ccc4[nH]ncc4c3Cl)n2)ccn1
InChIInChI=1S/C20H19ClN8O2S/c1-11-10-31-7-6-29(11)20(30)25-16-8-12(4-5-22-16)18-26-19(32-28-18)24-15-3-2-14-13(17(15)21)9-23-27-14/h2-5,8-9,11H,6-7,10H2,1H3,(H,23,27)(H,22,25,30)(H,24,26,28)
InChIKeyHMJZCAITEGKCEP-UHFFFAOYSA-N
MW470.95 g/mol
LogP4.13
Rot. Bonds4

About N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-2-pyridinyl]-3-methylmorpholine-4-carboxamide

N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-2-pyridinyl]-3-methylmorpholine-4-carboxamide (PubChem CID 139481607) has the molecular formula C20H19ClN8O2S and a molecular weight of 470.95 g/mol. Its IUPAC name is N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-2-pyridinyl]-3-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-2-pyridinyl]-3-methylmorpholine-4-carboxamide
PubChem CID139481607
Molecular FormulaC20H19ClN8O2S
Molecular Weight470.95 g/mol
Exact Mass470.10
IUPAC NameN-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-2-pyridinyl]-3-methylmorpholine-4-carboxamide
SMILESCC1COCCN1C(=O)Nc1cc(-c2nsc(Nc3ccc4[nH]ncc4c3Cl)n2)ccn1
InChIInChI=1S/C20H19ClN8O2S/c1-11-10-31-7-6-29(11)20(30)25-16-8-12(4-5-22-16)18-26-19(32-28-18)24-15-3-2-14-13(17(15)21)9-23-27-14/h2-5,8-9,11H,6-7,10H2,1H3,(H,23,27)(H,22,25,30)(H,24,26,28)
InChIKeyHMJZCAITEGKCEP-UHFFFAOYSA-N
XLogP4.13
TPSA120.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.95
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-2-pyridinyl]-3-methylmorpholine-4-carboxamide?
The IUPAC name of N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-2-pyridinyl]-3-methylmorpholine-4-carboxamide (CID 139481607) is N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-2-pyridinyl]-3-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-2-pyridinyl]-3-methylmorpholine-4-carboxamide?
The canonical SMILES for N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-2-pyridinyl]-3-methylmorpholine-4-carboxamide is CC1COCCN1C(=O)Nc1cc(-c2nsc(Nc3ccc4[nH]ncc4c3Cl)n2)ccn1.
What is the InChIKey of N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-2-pyridinyl]-3-methylmorpholine-4-carboxamide?
The InChIKey is HMJZCAITEGKCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN8O2S/c1-11-10-31-7-6-29(11)20(30)25-16-8-12(4-5-22-16)18-26-19(32-28-18)24-15-3-2-14-13(17(15)21)9-23-27-14/h2-5,8-9,11H,6-7,10H2,1H3,(H,23,27)(H,22,25,30)(H,24,26,28).
What are the key properties of N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-2-pyridinyl]-3-methylmorpholine-4-carboxamide?
N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-2-pyridinyl]-3-methylmorpholine-4-carboxamide has a molecular weight of 470.95 g/mol, XLogP of 4.13, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-2-pyridinyl]-3-methylmorpholine-4-carboxamide is sourced from PubChem (CID 139481607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).