6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

C23H31FN6O2 — CID 156600434

IUPAC6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCn1cc(C2CC3C(CC2F)NNC3C(=O)Nc2ccc(CN3CCOCC3)cc2)cn1
InChIInChI=1S/C23H31FN6O2/c1-29-14-16(12-25-29)18-10-19-21(11-20(18)24)27-28-22(19)23(31)26-17-4-2-15(3-5-17)13-30-6-8-32-9-7-30/h2-5,12,14,18-22,27-28H,6-11,13H2,1H3,(H,26,31)
InChIKeyCZOSVUYYINWXBY-UHFFFAOYSA-N
MW442.54 g/mol
LogP1.57
Rot. Bonds5

About 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 156600434) has the molecular formula C23H31FN6O2 and a molecular weight of 442.54 g/mol. Its IUPAC name is 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID156600434
Molecular FormulaC23H31FN6O2
Molecular Weight442.54 g/mol
Exact Mass442.25
IUPAC Name6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCn1cc(C2CC3C(CC2F)NNC3C(=O)Nc2ccc(CN3CCOCC3)cc2)cn1
InChIInChI=1S/C23H31FN6O2/c1-29-14-16(12-25-29)18-10-19-21(11-20(18)24)27-28-22(19)23(31)26-17-4-2-15(3-5-17)13-30-6-8-32-9-7-30/h2-5,12,14,18-22,27-28H,6-11,13H2,1H3,(H,26,31)
InChIKeyCZOSVUYYINWXBY-UHFFFAOYSA-N
XLogP1.57
TPSA83.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 156600434) is 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is Cn1cc(C2CC3C(CC2F)NNC3C(=O)Nc2ccc(CN3CCOCC3)cc2)cn1.
What is the InChIKey of 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is CZOSVUYYINWXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN6O2/c1-29-14-16(12-25-29)18-10-19-21(11-20(18)24)27-28-22(19)23(31)26-17-4-2-15(3-5-17)13-30-6-8-32-9-7-30/h2-5,12,14,18-22,27-28H,6-11,13H2,1H3,(H,26,31).
What are the key properties of 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 156600434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).