morpholin-4-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone

C21H19N5O2 — CID 134191657

IUPACmorpholin-4-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone
SMILESO=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCOCC1
InChIInChI=1S/C21H19N5O2/c27-21(26-9-11-28-12-10-26)17-4-1-3-14-13-15(6-7-16(14)17)23-20-19-18(24-25-20)5-2-8-22-19/h1-8,13H,9-12H2,(H2,23,24,25)
InChIKeyYNLLLEZNADMUHM-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.33
Rot. Bonds3

About morpholin-4-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone

morpholin-4-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone (PubChem CID 134191657) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is morpholin-4-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone
PubChem CID134191657
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Namemorpholin-4-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone
SMILESO=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCOCC1
InChIInChI=1S/C21H19N5O2/c27-21(26-9-11-28-12-10-26)17-4-1-3-14-13-15(6-7-16(14)17)23-20-19-18(24-25-20)5-2-8-22-19/h1-8,13H,9-12H2,(H2,23,24,25)
InChIKeyYNLLLEZNADMUHM-UHFFFAOYSA-N
XLogP3.33
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone (CID 134191657) is morpholin-4-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone is O=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone?
The InChIKey is YNLLLEZNADMUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c27-21(26-9-11-28-12-10-26)17-4-1-3-14-13-15(6-7-16(14)17)23-20-19-18(24-25-20)5-2-8-22-19/h1-8,13H,9-12H2,(H2,23,24,25).
What are the key properties of morpholin-4-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone?
morpholin-4-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone has a molecular weight of 373.42 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]methanone is sourced from PubChem (CID 134191657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).