6-[5-[[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]-6-methoxy-3-pyridinyl]-4-fluoro-N-methyl-1H-indazole-3-carboxamide

C25H23ClFN5O4 — CID 166041304

IUPAC6-[5-[[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]-6-methoxy-3-pyridinyl]-4-fluoro-N-methyl-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2cc(-c3cnc(OC)c(C(=O)NCC[C@H](O)c4ccc(Cl)cc4)c3)cc(F)c12
InChIInChI=1S/C25H23ClFN5O4/c1-28-24(35)22-21-18(27)10-14(11-19(21)31-32-22)15-9-17(25(36-2)30-12-15)23(34)29-8-7-20(33)13-3-5-16(26)6-4-13/h3-6,9-12,20,33H,7-8H2,1-2H3,(H,28,35)(H,29,34)(H,31,32)/t20-/m0/s1
InChIKeyACOKDROJZXCGDR-FQEVSTJZSA-N
MW511.94 g/mol
LogP3.64
Rot. Bonds8

About 6-[5-[[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]-6-methoxy-3-pyridinyl]-4-fluoro-N-methyl-1H-indazole-3-carboxamide

6-[5-[[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]-6-methoxy-3-pyridinyl]-4-fluoro-N-methyl-1H-indazole-3-carboxamide (PubChem CID 166041304) has the molecular formula C25H23ClFN5O4 and a molecular weight of 511.94 g/mol. Its IUPAC name is 6-[5-[[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]-6-methoxy-3-pyridinyl]-4-fluoro-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[5-[[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]-6-methoxy-3-pyridinyl]-4-fluoro-N-methyl-1H-indazole-3-carboxamide
PubChem CID166041304
Molecular FormulaC25H23ClFN5O4
Molecular Weight511.94 g/mol
Exact Mass511.14
IUPAC Name6-[5-[[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]-6-methoxy-3-pyridinyl]-4-fluoro-N-methyl-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2cc(-c3cnc(OC)c(C(=O)NCC[C@H](O)c4ccc(Cl)cc4)c3)cc(F)c12
InChIInChI=1S/C25H23ClFN5O4/c1-28-24(35)22-21-18(27)10-14(11-19(21)31-32-22)15-9-17(25(36-2)30-12-15)23(34)29-8-7-20(33)13-3-5-16(26)6-4-13/h3-6,9-12,20,33H,7-8H2,1-2H3,(H,28,35)(H,29,34)(H,31,32)/t20-/m0/s1
InChIKeyACOKDROJZXCGDR-FQEVSTJZSA-N
XLogP3.64
TPSA129.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.94
LogP ≤ 53.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]-6-methoxy-3-pyridinyl]-4-fluoro-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of 6-[5-[[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]-6-methoxy-3-pyridinyl]-4-fluoro-N-methyl-1H-indazole-3-carboxamide (CID 166041304) is 6-[5-[[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]-6-methoxy-3-pyridinyl]-4-fluoro-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-[5-[[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]-6-methoxy-3-pyridinyl]-4-fluoro-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for 6-[5-[[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]-6-methoxy-3-pyridinyl]-4-fluoro-N-methyl-1H-indazole-3-carboxamide is CNC(=O)c1n[nH]c2cc(-c3cnc(OC)c(C(=O)NCC[C@H](O)c4ccc(Cl)cc4)c3)cc(F)c12.
What is the InChIKey of 6-[5-[[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]-6-methoxy-3-pyridinyl]-4-fluoro-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is ACOKDROJZXCGDR-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H23ClFN5O4/c1-28-24(35)22-21-18(27)10-14(11-19(21)31-32-22)15-9-17(25(36-2)30-12-15)23(34)29-8-7-20(33)13-3-5-16(26)6-4-13/h3-6,9-12,20,33H,7-8H2,1-2H3,(H,28,35)(H,29,34)(H,31,32)/t20-/m0/s1.
What are the key properties of 6-[5-[[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]-6-methoxy-3-pyridinyl]-4-fluoro-N-methyl-1H-indazole-3-carboxamide?
6-[5-[[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]-6-methoxy-3-pyridinyl]-4-fluoro-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 511.94 g/mol, XLogP of 3.64, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]carbamoyl]-6-methoxy-3-pyridinyl]-4-fluoro-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 166041304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).