(2R)-N,N-diethyl-2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-amine

C25H37N5O — CID 58702850

IUPAC(2R)-N,N-diethyl-2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-amine
SMILESCC[C@H](CN(CC)CC)n1cc(C)c2nc(-c3ccc(C(C)C)nc3OC)c(C)nc21
InChIInChI=1S/C25H37N5O/c1-9-19(15-29(10-2)11-3)30-14-17(6)22-24(30)26-18(7)23(28-22)20-12-13-21(16(4)5)27-25(20)31-8/h12-14,16,19H,9-11,15H2,1-8H3/t19-/m1/s1
InChIKeySPPWOTQAXRPGRA-LJQANCHMSA-N
MW423.61 g/mol
LogP5.54
Rot. Bonds9

About (2R)-N,N-diethyl-2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-amine

(2R)-N,N-diethyl-2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-amine (PubChem CID 58702850) has the molecular formula C25H37N5O and a molecular weight of 423.61 g/mol. Its IUPAC name is (2R)-N,N-diethyl-2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-amine.

Molecular Properties

Compound Name(2R)-N,N-diethyl-2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-amine
PubChem CID58702850
Molecular FormulaC25H37N5O
Molecular Weight423.61 g/mol
Exact Mass423.30
IUPAC Name(2R)-N,N-diethyl-2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-amine
SMILESCC[C@H](CN(CC)CC)n1cc(C)c2nc(-c3ccc(C(C)C)nc3OC)c(C)nc21
InChIInChI=1S/C25H37N5O/c1-9-19(15-29(10-2)11-3)30-14-17(6)22-24(30)26-18(7)23(28-22)20-12-13-21(16(4)5)27-25(20)31-8/h12-14,16,19H,9-11,15H2,1-8H3/t19-/m1/s1
InChIKeySPPWOTQAXRPGRA-LJQANCHMSA-N
XLogP5.54
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.61
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-N,N-diethyl-2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-diethyl-2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-amine?
The IUPAC name of (2R)-N,N-diethyl-2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-amine (CID 58702850) is (2R)-N,N-diethyl-2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-amine.
What is the SMILES notation for (2R)-N,N-diethyl-2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-amine?
The canonical SMILES for (2R)-N,N-diethyl-2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-amine is CC[C@H](CN(CC)CC)n1cc(C)c2nc(-c3ccc(C(C)C)nc3OC)c(C)nc21.
What is the InChIKey of (2R)-N,N-diethyl-2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-amine?
The InChIKey is SPPWOTQAXRPGRA-LJQANCHMSA-N. The full InChI is InChI=1S/C25H37N5O/c1-9-19(15-29(10-2)11-3)30-14-17(6)22-24(30)26-18(7)23(28-22)20-12-13-21(16(4)5)27-25(20)31-8/h12-14,16,19H,9-11,15H2,1-8H3/t19-/m1/s1.
What are the key properties of (2R)-N,N-diethyl-2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-amine?
(2R)-N,N-diethyl-2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-amine has a molecular weight of 423.61 g/mol, XLogP of 5.54, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-diethyl-2-[2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butan-1-amine is sourced from PubChem (CID 58702850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).