4-[(4-chloro-6-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine

C15H20ClN3O — CID 144861420

IUPAC4-[(4-chloro-6-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine
SMILESCC(C)c1cc2[nH]c(CN3CCOCC3)cc2c(Cl)n1
InChIInChI=1S/C15H20ClN3O/c1-10(2)13-8-14-12(15(16)18-13)7-11(17-14)9-19-3-5-20-6-4-19/h7-8,10,17H,3-6,9H2,1-2H3
InChIKeyNUHRUOKGLWQOBK-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.17
Rot. Bonds3

About 4-[(4-chloro-6-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine

4-[(4-chloro-6-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine (PubChem CID 144861420) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 4-[(4-chloro-6-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-chloro-6-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine
PubChem CID144861420
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name4-[(4-chloro-6-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine
SMILESCC(C)c1cc2[nH]c(CN3CCOCC3)cc2c(Cl)n1
InChIInChI=1S/C15H20ClN3O/c1-10(2)13-8-14-12(15(16)18-13)7-11(17-14)9-19-3-5-20-6-4-19/h7-8,10,17H,3-6,9H2,1-2H3
InChIKeyNUHRUOKGLWQOBK-UHFFFAOYSA-N
XLogP3.17
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-6-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine?
The IUPAC name of 4-[(4-chloro-6-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine (CID 144861420) is 4-[(4-chloro-6-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4-chloro-6-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(4-chloro-6-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine is CC(C)c1cc2[nH]c(CN3CCOCC3)cc2c(Cl)n1.
What is the InChIKey of 4-[(4-chloro-6-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine?
The InChIKey is NUHRUOKGLWQOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-10(2)13-8-14-12(15(16)18-13)7-11(17-14)9-19-3-5-20-6-4-19/h7-8,10,17H,3-6,9H2,1-2H3.
What are the key properties of 4-[(4-chloro-6-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine?
4-[(4-chloro-6-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine has a molecular weight of 293.80 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-6-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine is sourced from PubChem (CID 144861420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).