N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-4-methylthiadiazole-5-carboxamide

C23H20ClFN6O2S — CID 56676663

IUPACN-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC1(C(=O)N[C@H](C)c2ccc(-n3nc(Cl)c4ccccc43)cc2F)CC1
InChIInChI=1S/C23H20ClFN6O2S/c1-12(26-22(33)23(9-10-23)27-21(32)19-13(2)28-30-34-19)15-8-7-14(11-17(15)25)31-18-6-4-3-5-16(18)20(24)29-31/h3-8,11-12H,9-10H2,1-2H3,(H,26,33)(H,27,32)/t12-/m1/s1
InChIKeyUNKDFJFFHQFGLN-GFCCVEGCSA-N
MW498.97 g/mol
LogP4.12
Rot. Bonds6

About N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-4-methylthiadiazole-5-carboxamide

N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 56676663) has the molecular formula C23H20ClFN6O2S and a molecular weight of 498.97 g/mol. Its IUPAC name is N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-4-methylthiadiazole-5-carboxamide
PubChem CID56676663
Molecular FormulaC23H20ClFN6O2S
Molecular Weight498.97 g/mol
Exact Mass498.10
IUPAC NameN-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC1(C(=O)N[C@H](C)c2ccc(-n3nc(Cl)c4ccccc43)cc2F)CC1
InChIInChI=1S/C23H20ClFN6O2S/c1-12(26-22(33)23(9-10-23)27-21(32)19-13(2)28-30-34-19)15-8-7-14(11-17(15)25)31-18-6-4-3-5-16(18)20(24)29-31/h3-8,11-12H,9-10H2,1-2H3,(H,26,33)(H,27,32)/t12-/m1/s1
InChIKeyUNKDFJFFHQFGLN-GFCCVEGCSA-N
XLogP4.12
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.97
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-4-methylthiadiazole-5-carboxamide (CID 56676663) is N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC1(C(=O)N[C@H](C)c2ccc(-n3nc(Cl)c4ccccc43)cc2F)CC1.
What is the InChIKey of N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is UNKDFJFFHQFGLN-GFCCVEGCSA-N. The full InChI is InChI=1S/C23H20ClFN6O2S/c1-12(26-22(33)23(9-10-23)27-21(32)19-13(2)28-30-34-19)15-8-7-14(11-17(15)25)31-18-6-4-3-5-16(18)20(24)29-31/h3-8,11-12H,9-10H2,1-2H3,(H,26,33)(H,27,32)/t12-/m1/s1.
What are the key properties of N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-4-methylthiadiazole-5-carboxamide?
N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 498.97 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(1R)-1-[4-(3-chloroindazol-1-yl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 56676663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).