3-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]azetidine-3-carboxamide

C24H31N9O2 — CID 145448968

About 3-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]azetidine-3-carboxamide

3-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]azetidine-3-carboxamide (PubChem CID 145448968) has the molecular formula C24H31N9O2 and a molecular weight of 477.57 g/mol. Its IUPAC name is 3-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]azetidine-3-carboxamide.

Molecular Properties

• Compound Name: 3-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]azetidine-3-carboxamide
• PubChem CID: 145448968
• Molecular Formula: C24H31N9O2
• Molecular Weight: 477.57 g/mol
• Exact Mass: 477.26
• IUPAC Name: 3-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]azetidine-3-carboxamide
• SMILES: COC1(C(=O)NCc2ccc(N3CCCC3)nc2)CN(c2nc(C)cc(Nc3cc(C)[nH]n3)n2)C1
• InChI: InChI=1S/C24H31N9O2/c1-16-10-19(28-20-11-17(2)30-31-20)29-23(27-16)33-14-24(15-33,35-3)22(34)26-13-18-6-7-21(25-12-18)32-8-4-5-9-32/h6-7,10-12H,4-5,8-9,13-15H2,1-3H3,(H,26,34)(H2,27,28,29,30,31)
• InChIKey: AEELJEYHZFGKFV-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 124.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.57
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]azetidine-3-carboxamide?

The IUPAC name of 3-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]azetidine-3-carboxamide (CID 145448968) is 3-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]azetidine-3-carboxamide.

What is the SMILES notation for 3-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]azetidine-3-carboxamide?

The canonical SMILES for 3-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]azetidine-3-carboxamide is COC1(C(=O)NCc2ccc(N3CCCC3)nc2)CN(c2nc(C)cc(Nc3cc(C)[nH]n3)n2)C1.

What is the InChIKey of 3-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]azetidine-3-carboxamide?

The InChIKey is AEELJEYHZFGKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N9O2/c1-16-10-19(28-20-11-17(2)30-31-20)29-23(27-16)33-14-24(15-33,35-3)22(34)26-13-18-6-7-21(25-12-18)32-8-4-5-9-32/h6-7,10-12H,4-5,8-9,13-15H2,1-3H3,(H,26,34)(H2,27,28,29,30,31).

What are the key properties of 3-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]azetidine-3-carboxamide?

3-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]azetidine-3-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 145448968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).