2-(1-methoxypropan-2-yl)-N-[4-methyl-3-[[5-methyl-2-[6-[(4-methylpiperazin-1-yl)amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-4-carboxamide

C30H38N10O2 — CID 68887481

About 2-(1-methoxypropan-2-yl)-N-[4-methyl-3-[[5-methyl-2-[6-[(4-methylpiperazin-1-yl)amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-4-carboxamide

2-(1-methoxypropan-2-yl)-N-[4-methyl-3-[[5-methyl-2-[6-[(4-methylpiperazin-1-yl)amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-4-carboxamide (PubChem CID 68887481) has the molecular formula C30H38N10O2 and a molecular weight of 570.70 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yl)-N-[4-methyl-3-[[5-methyl-2-[6-[(4-methylpiperazin-1-yl)amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(1-methoxypropan-2-yl)-N-[4-methyl-3-[[5-methyl-2-[6-[(4-methylpiperazin-1-yl)amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-4-carboxamide
• PubChem CID: 68887481
• Molecular Formula: C30H38N10O2
• Molecular Weight: 570.70 g/mol
• Exact Mass: 570.32
• IUPAC Name: 2-(1-methoxypropan-2-yl)-N-[4-methyl-3-[[5-methyl-2-[6-[(4-methylpiperazin-1-yl)amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-4-carboxamide
• SMILES: COCC(C)c1cc(C(=O)Nc2ccc(C)c(Nc3cc(C)nn3-c3cc(NN4CCN(C)CC4)ncn3)c2)ccn1
• InChI: InChI=1S/C30H38N10O2/c1-20-6-7-24(34-30(41)23-8-9-31-25(15-23)21(2)18-42-5)16-26(20)35-29-14-22(3)36-40(29)28-17-27(32-19-33-28)37-39-12-10-38(4)11-13-39/h6-9,14-17,19,21,35H,10-13,18H2,1-5H3,(H,34,41)(H,32,33,37)
• InChIKey: DMJYHCKMCHWWKW-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 125.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.70
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yl)-N-[4-methyl-3-[[5-methyl-2-[6-[(4-methylpiperazin-1-yl)amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-4-carboxamide?

The IUPAC name of 2-(1-methoxypropan-2-yl)-N-[4-methyl-3-[[5-methyl-2-[6-[(4-methylpiperazin-1-yl)amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-4-carboxamide (CID 68887481) is 2-(1-methoxypropan-2-yl)-N-[4-methyl-3-[[5-methyl-2-[6-[(4-methylpiperazin-1-yl)amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-4-carboxamide.

What is the SMILES notation for 2-(1-methoxypropan-2-yl)-N-[4-methyl-3-[[5-methyl-2-[6-[(4-methylpiperazin-1-yl)amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-4-carboxamide?

The canonical SMILES for 2-(1-methoxypropan-2-yl)-N-[4-methyl-3-[[5-methyl-2-[6-[(4-methylpiperazin-1-yl)amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-4-carboxamide is COCC(C)c1cc(C(=O)Nc2ccc(C)c(Nc3cc(C)nn3-c3cc(NN4CCN(C)CC4)ncn3)c2)ccn1.

What is the InChIKey of 2-(1-methoxypropan-2-yl)-N-[4-methyl-3-[[5-methyl-2-[6-[(4-methylpiperazin-1-yl)amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-4-carboxamide?

The InChIKey is DMJYHCKMCHWWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N10O2/c1-20-6-7-24(34-30(41)23-8-9-31-25(15-23)21(2)18-42-5)16-26(20)35-29-14-22(3)36-40(29)28-17-27(32-19-33-28)37-39-12-10-38(4)11-13-39/h6-9,14-17,19,21,35H,10-13,18H2,1-5H3,(H,34,41)(H,32,33,37).

What are the key properties of 2-(1-methoxypropan-2-yl)-N-[4-methyl-3-[[5-methyl-2-[6-[(4-methylpiperazin-1-yl)amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-4-carboxamide?

2-(1-methoxypropan-2-yl)-N-[4-methyl-3-[[5-methyl-2-[6-[(4-methylpiperazin-1-yl)amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-4-carboxamide has a molecular weight of 570.70 g/mol, XLogP of 3.99, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-methoxypropan-2-yl)-N-[4-methyl-3-[[5-methyl-2-[6-[(4-methylpiperazin-1-yl)amino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 68887481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).