4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine

C24H33N5O2 — CID 11224000

IUPAC4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine
SMILESCOc1nc(C(C)C)ccc1-c1nc2c(nc1C)c(C(C)CN1CCOCC1)cn2C
InChIInChI=1S/C24H33N5O2/c1-15(2)20-8-7-18(24(26-20)30-6)21-17(4)25-22-19(14-28(5)23(22)27-21)16(3)13-29-9-11-31-12-10-29/h7-8,14-16H,9-13H2,1-6H3
InChIKeyIRELQQYECLKMPH-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.91
Rot. Bonds6

About 4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine

4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine (PubChem CID 11224000) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine
PubChem CID11224000
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine
SMILESCOc1nc(C(C)C)ccc1-c1nc2c(nc1C)c(C(C)CN1CCOCC1)cn2C
InChIInChI=1S/C24H33N5O2/c1-15(2)20-8-7-18(24(26-20)30-6)21-17(4)25-22-19(14-28(5)23(22)27-21)16(3)13-29-9-11-31-12-10-29/h7-8,14-16H,9-13H2,1-6H3
InChIKeyIRELQQYECLKMPH-UHFFFAOYSA-N
XLogP3.91
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine?
The IUPAC name of 4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine (CID 11224000) is 4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine.
What is the SMILES notation for 4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine?
The canonical SMILES for 4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine is COc1nc(C(C)C)ccc1-c1nc2c(nc1C)c(C(C)CN1CCOCC1)cn2C.
What is the InChIKey of 4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine?
The InChIKey is IRELQQYECLKMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-15(2)20-8-7-18(24(26-20)30-6)21-17(4)25-22-19(14-28(5)23(22)27-21)16(3)13-29-9-11-31-12-10-29/h7-8,14-16H,9-13H2,1-6H3.
What are the key properties of 4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine?
4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine has a molecular weight of 423.56 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propyl]morpholine is sourced from PubChem (CID 11224000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).