2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-4-N-propan-2-ylpyridine-2,4-diamine

C26H32N10O3S — CID 167426399

IUPAC2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-4-N-propan-2-ylpyridine-2,4-diamine
SMILESCC(C)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1-c1cnc(OCCN(C)C)cn1
InChIInChI=1S/C26H32N10O3S/c1-17(2)32-21-11-24(29-13-20(21)22-14-30-25(15-28-22)39-10-9-35(3)4)33-23-7-8-27-26(34-23)18-12-31-36(16-18)40(37,38)19-5-6-19/h7-8,11-17,19H,5-6,9-10H2,1-4H3,(H2,27,29,32,33,34)
InChIKeyZLSGUGIULQWXIQ-UHFFFAOYSA-N
MW564.68 g/mol
LogP3.04
Rot. Bonds12

About 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-4-N-propan-2-ylpyridine-2,4-diamine

2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-4-N-propan-2-ylpyridine-2,4-diamine (PubChem CID 167426399) has the molecular formula C26H32N10O3S and a molecular weight of 564.68 g/mol. Its IUPAC name is 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-4-N-propan-2-ylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-4-N-propan-2-ylpyridine-2,4-diamine
PubChem CID167426399
Molecular FormulaC26H32N10O3S
Molecular Weight564.68 g/mol
Exact Mass564.24
IUPAC Name2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-4-N-propan-2-ylpyridine-2,4-diamine
SMILESCC(C)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1-c1cnc(OCCN(C)C)cn1
InChIInChI=1S/C26H32N10O3S/c1-17(2)32-21-11-24(29-13-20(21)22-14-30-25(15-28-22)39-10-9-35(3)4)33-23-7-8-27-26(34-23)18-12-31-36(16-18)40(37,38)19-5-6-19/h7-8,11-17,19H,5-6,9-10H2,1-4H3,(H2,27,29,32,33,34)
InChIKeyZLSGUGIULQWXIQ-UHFFFAOYSA-N
XLogP3.04
TPSA152.94 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.68
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-4-N-propan-2-ylpyridine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-4-N-propan-2-ylpyridine-2,4-diamine?
The IUPAC name of 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-4-N-propan-2-ylpyridine-2,4-diamine (CID 167426399) is 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-4-N-propan-2-ylpyridine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-4-N-propan-2-ylpyridine-2,4-diamine?
The canonical SMILES for 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-4-N-propan-2-ylpyridine-2,4-diamine is CC(C)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1-c1cnc(OCCN(C)C)cn1.
What is the InChIKey of 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-4-N-propan-2-ylpyridine-2,4-diamine?
The InChIKey is ZLSGUGIULQWXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N10O3S/c1-17(2)32-21-11-24(29-13-20(21)22-14-30-25(15-28-22)39-10-9-35(3)4)33-23-7-8-27-26(34-23)18-12-31-36(16-18)40(37,38)19-5-6-19/h7-8,11-17,19H,5-6,9-10H2,1-4H3,(H2,27,29,32,33,34).
What are the key properties of 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-4-N-propan-2-ylpyridine-2,4-diamine?
2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-4-N-propan-2-ylpyridine-2,4-diamine has a molecular weight of 564.68 g/mol, XLogP of 3.04, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-4-N-propan-2-ylpyridine-2,4-diamine is sourced from PubChem (CID 167426399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).