trans-(1R,3R)-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-ol

C23H24N4O2 — CID 91896026

IUPACtrans-(1R,3R)-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-ol
SMILESO=NC1CCc2cc(-c3cn([C@@H]4CCC[C@@H](O)C4)nc3-c3ccncc3)ccc21
InChIInChI=1S/C23H24N4O2/c28-19-3-1-2-18(13-19)27-14-21(23(25-27)15-8-10-24-11-9-15)17-4-6-20-16(12-17)5-7-22(20)26-29/h4,6,8-12,14,18-19,22,28H,1-3,5,7,13H2/t18-,19-,22?/m1/s1
InChIKeyPYDZXHXSHZEHQG-IERKJGKXSA-N
MW388.47 g/mol
LogP4.84
Rot. Bonds4

About trans-(1R,3R)-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-ol

trans-(1R,3R)-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-ol (PubChem CID 91896026) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is trans-(1R,3R)-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,3R)-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-ol
PubChem CID91896026
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Nametrans-(1R,3R)-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-ol
SMILESO=NC1CCc2cc(-c3cn([C@@H]4CCC[C@@H](O)C4)nc3-c3ccncc3)ccc21
InChIInChI=1S/C23H24N4O2/c28-19-3-1-2-18(13-19)27-14-21(23(25-27)15-8-10-24-11-9-15)17-4-6-20-16(12-17)5-7-22(20)26-29/h4,6,8-12,14,18-19,22,28H,1-3,5,7,13H2/t18-,19-,22?/m1/s1
InChIKeyPYDZXHXSHZEHQG-IERKJGKXSA-N
XLogP4.84
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1R,3R)-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-ol (CID 91896026) is trans-(1R,3R)-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,3R)-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,3R)-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-ol is O=NC1CCc2cc(-c3cn([C@@H]4CCC[C@@H](O)C4)nc3-c3ccncc3)ccc21.
What is the InChIKey of trans-(1R,3R)-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-ol?
The InChIKey is PYDZXHXSHZEHQG-IERKJGKXSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-19-3-1-2-18(13-19)27-14-21(23(25-27)15-8-10-24-11-9-15)17-4-6-20-16(12-17)5-7-22(20)26-29/h4,6,8-12,14,18-19,22,28H,1-3,5,7,13H2/t18-,19-,22?/m1/s1.
What are the key properties of trans-(1R,3R)-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-ol?
trans-(1R,3R)-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-ol has a molecular weight of 388.47 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 91896026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).