4-cyclopropyloxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carbaldehyde;2,6-dichloro-N-methylaniline

C24H29Cl2N7O2 — CID 176676029

About 4-cyclopropyloxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carbaldehyde;2,6-dichloro-N-methylaniline

4-cyclopropyloxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carbaldehyde;2,6-dichloro-N-methylaniline (PubChem CID 176676029) has the molecular formula C24H29Cl2N7O2 and a molecular weight of 518.45 g/mol. Its IUPAC name is 4-cyclopropyloxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carbaldehyde;2,6-dichloro-N-methylaniline.

Molecular Properties

• Compound Name: 4-cyclopropyloxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carbaldehyde;2,6-dichloro-N-methylaniline
• PubChem CID: 176676029
• Molecular Formula: C24H29Cl2N7O2
• Molecular Weight: 518.45 g/mol
• Exact Mass: 517.18
• IUPAC Name: 4-cyclopropyloxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carbaldehyde;2,6-dichloro-N-methylaniline
• SMILES: CN1CCC(n2cc(Nc3ncc(C=O)c(OC4CC4)n3)cn2)CC1.CNc1c(Cl)cccc1Cl
• InChI: InChI=1S/C17H22N6O2.C7H7Cl2N/c1-22-6-4-14(5-7-22)23-10-13(9-19-23)20-17-18-8-12(11-24)16(21-17)25-15-2-3-15;1-10-7-5(8)3-2-4-6(7)9/h8-11,14-15H,2-7H2,1H3,(H,18,20,21);2-4,10H,1H3
• InChIKey: ZGSUBKLWOGBJFQ-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 97.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.45
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carbaldehyde;2,6-dichloro-N-methylaniline?

The IUPAC name of 4-cyclopropyloxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carbaldehyde;2,6-dichloro-N-methylaniline (CID 176676029) is 4-cyclopropyloxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carbaldehyde;2,6-dichloro-N-methylaniline.

What is the SMILES notation for 4-cyclopropyloxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carbaldehyde;2,6-dichloro-N-methylaniline?

The canonical SMILES for 4-cyclopropyloxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carbaldehyde;2,6-dichloro-N-methylaniline is CN1CCC(n2cc(Nc3ncc(C=O)c(OC4CC4)n3)cn2)CC1.CNc1c(Cl)cccc1Cl.

What is the InChIKey of 4-cyclopropyloxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carbaldehyde;2,6-dichloro-N-methylaniline?

The InChIKey is ZGSUBKLWOGBJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2.C7H7Cl2N/c1-22-6-4-14(5-7-22)23-10-13(9-19-23)20-17-18-8-12(11-24)16(21-17)25-15-2-3-15;1-10-7-5(8)3-2-4-6(7)9/h8-11,14-15H,2-7H2,1H3,(H,18,20,21);2-4,10H,1H3.

What are the key properties of 4-cyclopropyloxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carbaldehyde;2,6-dichloro-N-methylaniline?

4-cyclopropyloxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carbaldehyde;2,6-dichloro-N-methylaniline has a molecular weight of 518.45 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyloxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carbaldehyde;2,6-dichloro-N-methylaniline is sourced from PubChem (CID 176676029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).