N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-pyridin-2-ylpropanamide

C23H18ClN7OS — CID 122522827

IUPACN-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-pyridin-2-ylpropanamide
SMILESCC(C(=O)Nc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)c1)c1ccccn1
InChIInChI=1S/C23H18ClN7OS/c1-13(17-7-2-3-10-25-17)21(32)27-15-6-4-5-14(11-15)22-30-31-23(33-22)28-19-9-8-18-16(20(19)24)12-26-29-18/h2-13H,1H3,(H,26,29)(H,27,32)(H,28,31)
InChIKeyAVHALKKVVJCMCH-UHFFFAOYSA-N
MW475.97 g/mol
LogP5.62
Rot. Bonds6

About N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-pyridin-2-ylpropanamide

N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-pyridin-2-ylpropanamide (PubChem CID 122522827) has the molecular formula C23H18ClN7OS and a molecular weight of 475.97 g/mol. Its IUPAC name is N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-pyridin-2-ylpropanamide
PubChem CID122522827
Molecular FormulaC23H18ClN7OS
Molecular Weight475.97 g/mol
Exact Mass475.10
IUPAC NameN-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-pyridin-2-ylpropanamide
SMILESCC(C(=O)Nc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)c1)c1ccccn1
InChIInChI=1S/C23H18ClN7OS/c1-13(17-7-2-3-10-25-17)21(32)27-15-6-4-5-14(11-15)22-30-31-23(33-22)28-19-9-8-18-16(20(19)24)12-26-29-18/h2-13H,1H3,(H,26,29)(H,27,32)(H,28,31)
InChIKeyAVHALKKVVJCMCH-UHFFFAOYSA-N
XLogP5.62
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.97
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chloro-1H-indazol-5-yl)-5-[3-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine
CID 145146620
N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-methoxypyrimidine-5-carboxamide
CID 122522623
N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-(5-methyl-2-pyridinyl)acetamide
CID 122522657
N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1,3-oxazol-2-yl)phenyl]acetamide
CID 134398901
N-[3-[5-[(4-ethenyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]acetamide
CID 122522762
N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(hydroxymethyl)phenyl]acetamide
CID 122522580
N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-4-fluorobenzamide
CID 122522628
N-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide
CID 122507541
4-methoxy-N-[3-[5-[(4-methyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzamide
CID 145146561
5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-3-(methoxymethyl)-1-propan-2-ylpyridin-2-one;2,2,2-trifluoroacetic acid
CID 160726756
N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 122507386
N-(4-chloro-1H-indazol-5-yl)-5-[3-[(dimethylamino)methyl]-5-(1,3-oxazol-2-yl)phenyl]-1,3,4-thiadiazol-2-amine
CID 134392851

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-pyridin-2-ylpropanamide?
The IUPAC name of N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-pyridin-2-ylpropanamide (CID 122522827) is N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-pyridin-2-ylpropanamide?
The canonical SMILES for N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-pyridin-2-ylpropanamide is CC(C(=O)Nc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)c1)c1ccccn1.
What is the InChIKey of N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-pyridin-2-ylpropanamide?
The InChIKey is AVHALKKVVJCMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN7OS/c1-13(17-7-2-3-10-25-17)21(32)27-15-6-4-5-14(11-15)22-30-31-23(33-22)28-19-9-8-18-16(20(19)24)12-26-29-18/h2-13H,1H3,(H,26,29)(H,27,32)(H,28,31).
What are the key properties of N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-pyridin-2-ylpropanamide?
N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-pyridin-2-ylpropanamide has a molecular weight of 475.97 g/mol, XLogP of 5.62, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-pyridin-2-ylpropanamide is sourced from PubChem (CID 122522827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).