5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-(4-morpholin-4-ylcyclohexyl)-3-[2-(1,3-oxazol-2-yl)ethoxy]pyrazol-4-yl]pyrimidin-2-amine

C32H38ClN11O4 — CID 146446038

About 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-(4-morpholin-4-ylcyclohexyl)-3-[2-(1,3-oxazol-2-yl)ethoxy]pyrazol-4-yl]pyrimidin-2-amine

5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-(4-morpholin-4-ylcyclohexyl)-3-[2-(1,3-oxazol-2-yl)ethoxy]pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 146446038) has the molecular formula C32H38ClN11O4 and a molecular weight of 676.18 g/mol. Its IUPAC name is 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-(4-morpholin-4-ylcyclohexyl)-3-[2-(1,3-oxazol-2-yl)ethoxy]pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-(4-morpholin-4-ylcyclohexyl)-3-[2-(1,3-oxazol-2-yl)ethoxy]pyrazol-4-yl]pyrimidin-2-amine
• PubChem CID: 146446038
• Molecular Formula: C32H38ClN11O4
• Molecular Weight: 676.18 g/mol
• Exact Mass: 675.28
• IUPAC Name: 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-(4-morpholin-4-ylcyclohexyl)-3-[2-(1,3-oxazol-2-yl)ethoxy]pyrazol-4-yl]pyrimidin-2-amine
• SMILES: CC(Cn1cnnn1)Oc1cc(-c2cnc(Nc3cn(C4CCC(N5CCOCC5)CC4)nc3OCCc3ncco3)nc2)ccc1Cl
• InChI: InChI=1S/C32H38ClN11O4/c1-22(19-43-21-37-40-41-43)48-29-16-23(2-7-27(29)33)24-17-35-32(36-18-24)38-28-20-44(39-31(28)47-12-8-30-34-9-13-46-30)26-5-3-25(4-6-26)42-10-14-45-15-11-42/h2,7,9,13,16-18,20-22,25-26H,3-6,8,10-12,14-15,19H2,1H3,(H,35,36,38)
• InChIKey: WZMVZRSCHDQTDK-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 156.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.18
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-(4-morpholin-4-ylcyclohexyl)-3-[2-(1,3-oxazol-2-yl)ethoxy]pyrazol-4-yl]pyrimidin-2-amine?

The IUPAC name of 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-(4-morpholin-4-ylcyclohexyl)-3-[2-(1,3-oxazol-2-yl)ethoxy]pyrazol-4-yl]pyrimidin-2-amine (CID 146446038) is 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-(4-morpholin-4-ylcyclohexyl)-3-[2-(1,3-oxazol-2-yl)ethoxy]pyrazol-4-yl]pyrimidin-2-amine.

What is the SMILES notation for 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-(4-morpholin-4-ylcyclohexyl)-3-[2-(1,3-oxazol-2-yl)ethoxy]pyrazol-4-yl]pyrimidin-2-amine?

The canonical SMILES for 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-(4-morpholin-4-ylcyclohexyl)-3-[2-(1,3-oxazol-2-yl)ethoxy]pyrazol-4-yl]pyrimidin-2-amine is CC(Cn1cnnn1)Oc1cc(-c2cnc(Nc3cn(C4CCC(N5CCOCC5)CC4)nc3OCCc3ncco3)nc2)ccc1Cl.

What is the InChIKey of 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-(4-morpholin-4-ylcyclohexyl)-3-[2-(1,3-oxazol-2-yl)ethoxy]pyrazol-4-yl]pyrimidin-2-amine?

The InChIKey is WZMVZRSCHDQTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClN11O4/c1-22(19-43-21-37-40-41-43)48-29-16-23(2-7-27(29)33)24-17-35-32(36-18-24)38-28-20-44(39-31(28)47-12-8-30-34-9-13-46-30)26-5-3-25(4-6-26)42-10-14-45-15-11-42/h2,7,9,13,16-18,20-22,25-26H,3-6,8,10-12,14-15,19H2,1H3,(H,35,36,38).

What are the key properties of 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-(4-morpholin-4-ylcyclohexyl)-3-[2-(1,3-oxazol-2-yl)ethoxy]pyrazol-4-yl]pyrimidin-2-amine?

5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-(4-morpholin-4-ylcyclohexyl)-3-[2-(1,3-oxazol-2-yl)ethoxy]pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 676.18 g/mol, XLogP of 4.62, 13 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-(4-morpholin-4-ylcyclohexyl)-3-[2-(1,3-oxazol-2-yl)ethoxy]pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 146446038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).