morpholin-4-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone

C21H27N5O3 — CID 56941508

IUPACmorpholin-4-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone
SMILESCC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N4CCOCC4)n(C(C)C)c3)c12
InChIInChI=1S/C21H27N5O3/c1-13(2)26-12-15(11-17(26)21(27)25-7-9-28-10-8-25)19-18-16(23-24-19)5-6-22-20(18)29-14(3)4/h5-6,11-14H,7-10H2,1-4H3,(H,23,24)
InChIKeyXWXWRUUUWSOEEC-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.27
Rot. Bonds5

About morpholin-4-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone

morpholin-4-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone (PubChem CID 56941508) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is morpholin-4-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone
PubChem CID56941508
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Namemorpholin-4-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone
SMILESCC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N4CCOCC4)n(C(C)C)c3)c12
InChIInChI=1S/C21H27N5O3/c1-13(2)26-12-15(11-17(26)21(27)25-7-9-28-10-8-25)19-18-16(23-24-19)5-6-22-20(18)29-14(3)4/h5-6,11-14H,7-10H2,1-4H3,(H,23,24)
InChIKeyXWXWRUUUWSOEEC-UHFFFAOYSA-N
XLogP3.27
TPSA85.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone (CID 56941508) is morpholin-4-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone is CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N4CCOCC4)n(C(C)C)c3)c12.
What is the InChIKey of morpholin-4-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone?
The InChIKey is XWXWRUUUWSOEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-13(2)26-12-15(11-17(26)21(27)25-7-9-28-10-8-25)19-18-16(23-24-19)5-6-22-20(18)29-14(3)4/h5-6,11-14H,7-10H2,1-4H3,(H,23,24).
What are the key properties of morpholin-4-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone?
morpholin-4-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone has a molecular weight of 397.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone is sourced from PubChem (CID 56941508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).