chlorobenzene;morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone

C21H20ClN5O2 — CID 178095343

IUPACchlorobenzene;morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
SMILESClc1ccccc1.O=C(c1cc2ccc(-c3cn[nH]c3)nc2[nH]1)N1CCOCC1
InChIInChI=1S/C15H15N5O2.C6H5Cl/c21-15(20-3-5-22-6-4-20)13-7-10-1-2-12(18-14(10)19-13)11-8-16-17-9-11;7-6-4-2-1-3-5-6/h1-2,7-9H,3-6H2,(H,16,17)(H,18,19);1-5H
InChIKeyMFQRCPXLMOSBRS-UHFFFAOYSA-N
MW409.88 g/mol
LogP3.77
Rot. Bonds2

About chlorobenzene;morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone

chlorobenzene;morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone (PubChem CID 178095343) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is chlorobenzene;morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone.

Molecular Properties

Compound Namechlorobenzene;morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
PubChem CID178095343
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Namechlorobenzene;morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
SMILESClc1ccccc1.O=C(c1cc2ccc(-c3cn[nH]c3)nc2[nH]1)N1CCOCC1
InChIInChI=1S/C15H15N5O2.C6H5Cl/c21-15(20-3-5-22-6-4-20)13-7-10-1-2-12(18-14(10)19-13)11-8-16-17-9-11;7-6-4-2-1-3-5-6/h1-2,7-9H,3-6H2,(H,16,17)(H,18,19);1-5H
InChIKeyMFQRCPXLMOSBRS-UHFFFAOYSA-N
XLogP3.77
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of chlorobenzene;morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?
The IUPAC name of chlorobenzene;morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone (CID 178095343) is chlorobenzene;morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone.
What is the SMILES notation for chlorobenzene;morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?
The canonical SMILES for chlorobenzene;morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone is Clc1ccccc1.O=C(c1cc2ccc(-c3cn[nH]c3)nc2[nH]1)N1CCOCC1.
What is the InChIKey of chlorobenzene;morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?
The InChIKey is MFQRCPXLMOSBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2.C6H5Cl/c21-15(20-3-5-22-6-4-20)13-7-10-1-2-12(18-14(10)19-13)11-8-16-17-9-11;7-6-4-2-1-3-5-6/h1-2,7-9H,3-6H2,(H,16,17)(H,18,19);1-5H.
What are the key properties of chlorobenzene;morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone?
chlorobenzene;morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone has a molecular weight of 409.88 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone is sourced from PubChem (CID 178095343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).