tert-butyl 4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C51H60N16O2 — CID 157228679

About tert-butyl 4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

tert-butyl 4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 157228679) has the molecular formula C51H60N16O2 and a molecular weight of 929.15 g/mol. Its IUPAC name is tert-butyl 4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

• Compound Name: tert-butyl 4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
• PubChem CID: 157228679
• Molecular Formula: C51H60N16O2
• Molecular Weight: 929.15 g/mol
• Exact Mass: 928.51
• IUPAC Name: tert-butyl 4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
• SMILES: CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3n2)c1.CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc3n2)c1
• InChI: InChI=1S/C28H34N8O2.C23H26N8/c1-18(2)19-13-26(34-30-15-19)33-25-7-6-23-24(32-25)12-20(14-29-23)21-16-31-36(17-21)22-8-10-35(11-9-22)27(37)38-28(3,4)5;1-15(2)16-10-23(30-26-12-16)29-22-4-3-20-21(28-22)9-17(11-25-20)18-13-27-31(14-18)19-5-7-24-8-6-19/h6-7,12-18,22H,8-11H2,1-5H3,(H,32,33,34);3-4,9-15,19,24H,5-8H2,1-2H3,(H,28,29,30)
• InChIKey: ATVVQQADWVBBQZ-UHFFFAOYSA-N
• XLogP: 9.80
• TPSA: 204.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	929.15
LogP ≤ 5	9.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

The IUPAC name of tert-butyl 4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 157228679) is tert-butyl 4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

What is the SMILES notation for tert-butyl 4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

The canonical SMILES for tert-butyl 4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(C5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3n2)c1.CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc3n2)c1.

What is the InChIKey of tert-butyl 4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

The InChIKey is ATVVQQADWVBBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8O2.C23H26N8/c1-18(2)19-13-26(34-30-15-19)33-25-7-6-23-24(32-25)12-20(14-29-23)21-16-31-36(17-21)22-8-10-35(11-9-22)27(37)38-28(3,4)5;1-15(2)16-10-23(30-26-12-16)29-22-4-3-20-21(28-22)9-17(11-25-20)18-13-27-31(14-18)19-5-7-24-8-6-19/h6-7,12-18,22H,8-11H2,1-5H3,(H,32,33,34);3-4,9-15,19,24H,5-8H2,1-2H3,(H,28,29,30).

What are the key properties of tert-butyl 4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

tert-butyl 4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 929.15 g/mol, XLogP of 9.80, 10 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 157228679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).