(3S)-N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]oxolane-3-carboxamide

C22H23FN4O3 — CID 95894266

IUPAC(3S)-N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1nn(-c2ccc(F)cc2)c2cccc(N3CCOCC3)c12)[C@H]1CCOC1
InChIInChI=1S/C22H23FN4O3/c23-16-4-6-17(7-5-16)27-19-3-1-2-18(26-9-12-29-13-10-26)20(19)21(25-27)24-22(28)15-8-11-30-14-15/h1-7,15H,8-14H2,(H,24,25,28)/t15-/m0/s1
InChIKeyXDJUKQDUTOKPFS-HNNXBMFYSA-N
MW410.45 g/mol
LogP2.98
Rot. Bonds4

About (3S)-N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]oxolane-3-carboxamide

(3S)-N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]oxolane-3-carboxamide (PubChem CID 95894266) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is (3S)-N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]oxolane-3-carboxamide
PubChem CID95894266
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name(3S)-N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1nn(-c2ccc(F)cc2)c2cccc(N3CCOCC3)c12)[C@H]1CCOC1
InChIInChI=1S/C22H23FN4O3/c23-16-4-6-17(7-5-16)27-19-3-1-2-18(26-9-12-29-13-10-26)20(19)21(25-27)24-22(28)15-8-11-30-14-15/h1-7,15H,8-14H2,(H,24,25,28)/t15-/m0/s1
InChIKeyXDJUKQDUTOKPFS-HNNXBMFYSA-N
XLogP2.98
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]oxolane-3-carboxamide (CID 95894266) is (3S)-N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]oxolane-3-carboxamide is O=C(Nc1nn(-c2ccc(F)cc2)c2cccc(N3CCOCC3)c12)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]oxolane-3-carboxamide?
The InChIKey is XDJUKQDUTOKPFS-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c23-16-4-6-17(7-5-16)27-19-3-1-2-18(26-9-12-29-13-10-26)20(19)21(25-27)24-22(28)15-8-11-30-14-15/h1-7,15H,8-14H2,(H,24,25,28)/t15-/m0/s1.
What are the key properties of (3S)-N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]oxolane-3-carboxamide?
(3S)-N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]oxolane-3-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(4-fluorophenyl)-4-morpholin-4-ylindazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 95894266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).