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

C23H29N5O4 — CID 56941658

IUPACmorpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrol-2-yl]methanone
SMILESCC(C)n1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc1C(=O)N1CCOCC1
InChIInChI=1S/C23H29N5O4/c1-15(2)28-14-16(13-19(28)23(29)27-7-11-31-12-8-27)21-20-18(25-26-21)3-6-24-22(20)32-17-4-9-30-10-5-17/h3,6,13-15,17H,4-5,7-12H2,1-2H3,(H,25,26)
InChIKeyYTWYTEJBKQVNEL-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.04
Rot. Bonds5

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

morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrol-2-yl]methanone (PubChem CID 56941658) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrol-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrol-2-yl]methanone
PubChem CID56941658
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC Namemorpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrol-2-yl]methanone
SMILESCC(C)n1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc1C(=O)N1CCOCC1
InChIInChI=1S/C23H29N5O4/c1-15(2)28-14-16(13-19(28)23(29)27-7-11-31-12-8-27)21-20-18(25-26-21)3-6-24-22(20)32-17-4-9-30-10-5-17/h3,6,13-15,17H,4-5,7-12H2,1-2H3,(H,25,26)
InChIKeyYTWYTEJBKQVNEL-UHFFFAOYSA-N
XLogP3.04
TPSA94.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrol-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrol-2-yl]methanone (CID 56941658) is morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrol-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrol-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrol-2-yl]methanone is CC(C)n1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc1C(=O)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrol-2-yl]methanone?
The InChIKey is YTWYTEJBKQVNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-15(2)28-14-16(13-19(28)23(29)27-7-11-31-12-8-27)21-20-18(25-26-21)3-6-24-22(20)32-17-4-9-30-10-5-17/h3,6,13-15,17H,4-5,7-12H2,1-2H3,(H,25,26).
What are the key properties of morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrol-2-yl]methanone?
morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrol-2-yl]methanone has a molecular weight of 439.52 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrol-2-yl]methanone is sourced from PubChem (CID 56941658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).