2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-3-propan-2-ylpyridine-2,4-diamine

C26H32N10O3S — CID 167426377

IUPAC2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-3-propan-2-ylpyridine-2,4-diamine
SMILESCC(C)c1c(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc(-c2cnc(OCCN(C)C)cn2)c1N
InChIInChI=1S/C26H32N10O3S/c1-16(2)23-24(27)19(20-13-30-22(14-29-20)39-10-9-35(3)4)12-31-26(23)34-21-7-8-28-25(33-21)17-11-32-36(15-17)40(37,38)18-5-6-18/h7-8,11-16,18H,5-6,9-10H2,1-4H3,(H3,27,28,31,33,34)
InChIKeyMCRFIOXDVOVZHO-UHFFFAOYSA-N
MW564.68 g/mol
LogP2.92
Rot. Bonds11

About 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-3-propan-2-ylpyridine-2,4-diamine

2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-3-propan-2-ylpyridine-2,4-diamine (PubChem CID 167426377) 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]-3-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]-3-propan-2-ylpyridine-2,4-diamine
PubChem CID167426377
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]-3-propan-2-ylpyridine-2,4-diamine
SMILESCC(C)c1c(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc(-c2cnc(OCCN(C)C)cn2)c1N
InChIInChI=1S/C26H32N10O3S/c1-16(2)23-24(27)19(20-13-30-22(14-29-20)39-10-9-35(3)4)12-31-26(23)34-21-7-8-28-25(33-21)17-11-32-36(15-17)40(37,38)18-5-6-18/h7-8,11-16,18H,5-6,9-10H2,1-4H3,(H3,27,28,31,33,34)
InChIKeyMCRFIOXDVOVZHO-UHFFFAOYSA-N
XLogP2.92
TPSA166.93 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.68
LogP ≤ 52.92
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]-3-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]-3-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]-3-propan-2-ylpyridine-2,4-diamine (CID 167426377) is 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-3-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]-3-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]-3-propan-2-ylpyridine-2,4-diamine is CC(C)c1c(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc(-c2cnc(OCCN(C)C)cn2)c1N.
What is the InChIKey of 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-3-propan-2-ylpyridine-2,4-diamine?
The InChIKey is MCRFIOXDVOVZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N10O3S/c1-16(2)23-24(27)19(20-13-30-22(14-29-20)39-10-9-35(3)4)12-31-26(23)34-21-7-8-28-25(33-21)17-11-32-36(15-17)40(37,38)18-5-6-18/h7-8,11-16,18H,5-6,9-10H2,1-4H3,(H3,27,28,31,33,34).
What are the key properties of 2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-3-propan-2-ylpyridine-2,4-diamine?
2-N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-5-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-3-propan-2-ylpyridine-2,4-diamine has a molecular weight of 564.68 g/mol, XLogP of 2.92, 11 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]-3-propan-2-ylpyridine-2,4-diamine is sourced from PubChem (CID 167426377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).