morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone

C16H16N4O2 — CID 178095122

IUPACmorpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone
SMILESO=C(c1cc2ccc(-c3cn[nH]c3)cc2[nH]1)N1CCOCC1
InChIInChI=1S/C16H16N4O2/c21-16(20-3-5-22-6-4-20)15-8-12-2-1-11(7-14(12)19-15)13-9-17-18-10-13/h1-2,7-10,19H,3-6H2,(H,17,18)
InChIKeyBPDCMKMTONCHKF-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.03
Rot. Bonds2

About morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone

morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone (PubChem CID 178095122) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone
PubChem CID178095122
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Namemorpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone
SMILESO=C(c1cc2ccc(-c3cn[nH]c3)cc2[nH]1)N1CCOCC1
InChIInChI=1S/C16H16N4O2/c21-16(20-3-5-22-6-4-20)15-8-12-2-1-11(7-14(12)19-15)13-9-17-18-10-13/h1-2,7-10,19H,3-6H2,(H,17,18)
InChIKeyBPDCMKMTONCHKF-UHFFFAOYSA-N
XLogP2.03
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone (CID 178095122) is morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone is O=C(c1cc2ccc(-c3cn[nH]c3)cc2[nH]1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone?
The InChIKey is BPDCMKMTONCHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-16(20-3-5-22-6-4-20)15-8-12-2-1-11(7-14(12)19-15)13-9-17-18-10-13/h1-2,7-10,19H,3-6H2,(H,17,18).
What are the key properties of morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone?
morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone has a molecular weight of 296.33 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone is sourced from PubChem (CID 178095122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).